NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
21025 | 2gyt | 7120 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 H MET 1 -16.880 20.535 1.217 2 HA MET 1 HA MET 1 -14.300 21.698 1.372 3 2HB MET 1 2HB MET 1 -13.743 20.075 3.054 4 2HG MET 1 2HG MET 1 -14.325 17.879 1.024 5 1HE MET 1 1HE MET 1 -15.247 15.961 3.589 6 2HE MET 1 2HE MET 1 -14.515 15.352 2.086 7 3HE MET 1 3HE MET 1 -13.815 14.915 3.663 8 H CYS 2 H CYS 2 -16.369 21.634 -0.637 9 HA CYS 2 HA CYS 2 -15.494 19.918 -2.819 10 2HB CYS 2 2HB CYS 2 -17.781 20.574 -2.789 11 HG CYS 2 HG CYS 2 -18.757 23.023 -3.127 12 H ARG 3 H ARG 3 -13.793 20.218 -4.071 13 HA ARG 3 HA ARG 3 -13.028 22.738 -5.183 14 2HB ARG 3 2HB ARG 3 -10.581 21.825 -3.771 15 2HG ARG 3 2HG ARG 3 -11.991 24.522 -3.722 16 2HD ARG 3 2HD ARG 3 -9.124 23.576 -3.370 17 HE ARG 3 HE ARG 3 -10.000 26.107 -4.433 18 1HH1 ARG 3 1HH2 ARG 3 -7.623 24.833 -2.198 19 2HH1 ARG 3 2HH2 ARG 3 -6.454 26.064 -2.596 20 1HH2 ARG 3 1HH1 ARG 3 -8.462 27.623 -4.919 21 2HH2 ARG 3 2HH1 ARG 3 -6.929 27.609 -4.095 22 H LYS 4 H LYS 4 -11.484 19.663 -4.280 23 HA LYS 4 HA LYS 4 -10.286 19.239 -6.931 24 2HB LYS 4 2HB LYS 4 -9.711 16.981 -5.864 25 2HG LYS 4 2HG LYS 4 -8.653 18.949 -3.909 26 2HD LYS 4 2HD LYS 4 -7.569 16.954 -5.859 27 2HE LYS 4 2HE LYS 4 -5.885 19.370 -5.104 28 1HZ LYS 4 1HZ LYS 4 -4.694 17.294 -5.634 29 2HZ LYS 4 2HZ LYS 4 -5.477 17.165 -7.065 30 3HZ LYS 4 3HZ LYS 4 -4.442 18.398 -6.812 31 H LYS 5 H LYS 5 -10.586 17.187 -8.061 32 HA LYS 5 HA LYS 5 -13.172 17.049 -9.153 33 2HB LYS 5 2HB LYS 5 -11.083 14.834 -9.352 34 2HG LYS 5 2HG LYS 5 -13.197 15.985 -11.216 35 2HD LYS 5 2HD LYS 5 -10.895 14.124 -11.939 36 2HE LYS 5 2HE LYS 5 -13.401 15.074 -13.380 37 1HZ LYS 5 1HZ LYS 5 -11.544 15.467 -14.867 38 2HZ LYS 5 2HZ LYS 5 -10.945 13.964 -14.627 39 3HZ LYS 5 3HZ LYS 5 -12.372 14.167 -15.395 40 HA PRO 6 HA PRO 6 -15.181 14.465 -6.090 41 2HB PRO 6 2HB PRO 6 -17.059 15.635 -6.708 42 2HG PRO 6 2HG PRO 6 -17.574 16.083 -8.988 43 2HD PRO 6 2HD PRO 6 -15.429 16.961 -8.655 44 H ASP 7 H ASP 7 -13.231 13.064 -7.285 45 HA ASP 7 HA ASP 7 -14.161 10.334 -7.091 46 2HB ASP 7 2HB ASP 7 -12.555 10.374 -9.527 47 H THR 8 H THR 8 -11.346 12.393 -8.085 48 HA THR 8 HA THR 8 -9.322 10.593 -7.325 49 HB THR 8 HB THR 8 -8.981 12.583 -8.716 50 HG1 THR 8 1HG THR 8 -6.926 13.022 -7.867 51 1HG2 THR 8 1HG2 THR 8 -10.158 14.272 -7.241 52 2HG2 THR 8 2HG2 THR 8 -8.770 14.200 -6.138 53 3HG2 THR 8 3HG2 THR 8 -8.561 14.763 -7.810 54 H MET 9 H MET 9 -10.984 12.945 -5.273 55 HA MET 9 HA MET 9 -9.497 12.688 -2.856 56 2HB MET 9 2HB MET 9 -11.861 13.198 -1.852 57 2HG MET 9 2HG MET 9 -11.864 15.494 -3.160 58 1HE MET 9 1HE MET 9 -8.088 15.236 -2.444 59 2HE MET 9 2HE MET 9 -8.856 16.811 -2.757 60 3HE MET 9 3HE MET 9 -8.117 16.485 -1.178 61 H ILE 10 H ILE 10 -11.906 10.543 -4.303 62 HA ILE 10 HA ILE 10 -11.932 8.753 -1.934 63 HB ILE 10 HB ILE 10 -13.456 8.687 -4.552 64 2HG1 ILE 10 2HG1 ILE 10 -13.934 10.338 -2.388 65 1HG2 ILE 10 1HG2 ILE 10 -13.172 6.381 -3.842 66 2HG2 ILE 10 2HG2 ILE 10 -13.576 6.794 -2.163 67 3HG2 ILE 10 3HG2 ILE 10 -14.815 6.873 -3.435 68 1HD1 ILE 10 1HD1 ILE 10 -15.154 10.429 -4.509 69 2HD1 ILE 10 2HD1 ILE 10 -16.069 8.967 -4.063 70 3HD1 ILE 10 3HD1 ILE 10 -16.261 10.465 -3.122 71 H LEU 11 H LEU 11 -10.690 8.828 -5.323 72 HA LEU 11 HA LEU 11 -9.814 6.222 -5.561 73 2HB LEU 11 2HB LEU 11 -7.933 8.316 -6.538 74 HG LEU 11 HG LEU 11 -9.499 6.264 -8.152 75 1HD1 LEU 11 1HD1 LEU 11 -8.392 8.141 -9.346 76 2HD1 LEU 11 2HD1 LEU 11 -6.832 7.647 -8.652 77 3HD1 LEU 11 3HD1 LEU 11 -7.691 6.571 -9.772 78 1HD2 LEU 11 1HD2 LEU 11 -6.760 5.803 -6.910 79 2HD2 LEU 11 2HD2 LEU 11 -8.244 4.865 -6.609 80 3HD2 LEU 11 3HD2 LEU 11 -7.488 4.810 -8.193 81 H THR 12 H THR 12 -8.083 8.864 -3.885 82 HA THR 12 HA THR 12 -5.870 7.322 -2.925 83 HB THR 12 HB THR 12 -7.108 9.956 -2.369 84 HG1 THR 12 1HG THR 12 -4.917 10.513 -2.641 85 1HG2 THR 12 1HG2 THR 12 -6.879 9.334 -0.043 86 2HG2 THR 12 2HG2 THR 12 -5.215 8.751 -0.314 87 3HG2 THR 12 3HG2 THR 12 -5.612 10.478 -0.485 88 H GLN 13 H GLN 13 -9.183 7.482 -1.624 89 HA GLN 13 HA GLN 13 -8.427 6.013 0.832 90 2HB GLN 13 2HB GLN 13 -10.912 5.926 1.172 91 2HG GLN 13 2HG GLN 13 -9.987 8.791 0.795 92 1HE2 GLN 13 2HE2 GLN 13 -10.559 7.702 4.004 93 2HE2 GLN 13 1HE2 GLN 13 -12.237 8.203 4.113 94 H ILE 14 H ILE 14 -10.177 5.241 -2.278 95 HA ILE 14 HA ILE 14 -10.409 2.449 -1.541 96 HB ILE 14 HB ILE 14 -11.865 2.867 -3.243 97 2HG1 ILE 14 2HG1 ILE 14 -10.671 0.758 -3.562 98 1HG2 ILE 14 1HG2 ILE 14 -11.081 4.954 -4.099 99 2HG2 ILE 14 2HG2 ILE 14 -9.665 4.165 -4.861 100 3HG2 ILE 14 3HG2 ILE 14 -11.326 3.887 -5.439 101 1HD1 ILE 14 1HD1 ILE 14 -12.399 1.340 -5.322 102 2HD1 ILE 14 2HD1 ILE 14 -11.046 1.893 -6.350 103 3HD1 ILE 14 3HD1 ILE 14 -11.121 0.210 -5.834 104 H GLU 15 H GLU 15 -7.676 4.319 -3.006 105 HA GLU 15 HA GLU 15 -6.017 2.058 -3.350 106 2HB GLU 15 2HB GLU 15 -4.175 3.837 -2.682 107 2HG GLU 15 2HG GLU 15 -5.689 4.547 -5.175 108 H ALA 16 H ALA 16 -7.103 3.291 -0.274 109 HA ALA 16 HA ALA 16 -5.177 1.539 1.166 110 1HB ALA 16 1HB ALA 16 -5.726 3.690 2.178 111 2HB ALA 16 2HB ALA 16 -7.457 3.289 2.176 112 3HB ALA 16 3HB ALA 16 -6.340 2.345 3.168 113 H LYS 17 H LYS 17 -8.742 1.734 0.529 114 HA LYS 17 HA LYS 17 -9.302 -0.712 1.935 115 2HB LYS 17 2HB LYS 17 -10.834 1.341 1.018 116 2HG LYS 17 2HG LYS 17 -11.113 0.340 -1.312 117 2HD LYS 17 2HD LYS 17 -12.106 -1.957 0.347 118 2HE LYS 17 2HE LYS 17 -13.457 -1.263 -2.287 119 1HZ LYS 17 1HZ LYS 17 -13.414 -3.618 -1.625 120 2HZ LYS 17 2HZ LYS 17 -14.076 -3.263 -0.172 121 3HZ LYS 17 3HZ LYS 17 -14.941 -3.045 -1.537 122 H GLU 18 H GLU 18 -8.733 -0.139 -1.521 123 HA GLU 18 HA GLU 18 -9.016 -2.908 -2.293 124 2HB GLU 18 2HB GLU 18 -9.060 -0.849 -3.879 125 2HG GLU 18 2HG GLU 18 -6.064 -1.496 -3.892 126 H ALA 19 H ALA 19 -6.283 -0.978 -0.958 127 HA ALA 19 HA ALA 19 -4.384 -3.110 -1.438 128 1HB ALA 19 1HB ALA 19 -3.659 -0.806 -0.917 129 2HB ALA 19 2HB ALA 19 -4.344 -0.995 0.721 130 3HB ALA 19 3HB ALA 19 -2.982 -2.005 0.192 131 H CYS 20 H CYS 20 -6.604 -2.362 1.341 132 HA CYS 20 HA CYS 20 -5.870 -4.653 2.850 133 2HB CYS 20 2HB CYS 20 -8.640 -3.411 2.718 134 HG CYS 20 HG CYS 20 -8.795 -4.013 5.338 135 H ASP 21 H ASP 21 -8.492 -4.427 0.404 136 HA ASP 21 HA ASP 21 -9.122 -7.203 0.530 137 2HB ASP 21 2HB ASP 21 -9.513 -5.304 -1.810 138 H TRP 22 H TRP 22 -6.836 -5.487 -1.636 139 HA TRP 22 HA TRP 22 -6.133 -7.730 -3.283 140 2HB TRP 22 2HB TRP 22 -4.533 -5.219 -2.651 141 HD1 TRP 22 HD TRP 22 -5.191 -6.178 -6.171 142 HE1 TRP 22 1HE TRP 22 -3.072 -7.004 -7.359 143 HE3 TRP 22 3HE TRP 22 -2.039 -6.500 -2.134 144 HZ2 TRP 22 2HZ TRP 22 -0.470 -7.938 -6.620 145 HZ3 TRP 22 3HZ TRP 22 0.248 -7.430 -2.412 146 HH2 TRP 22 HH TRP 22 1.037 -8.180 -4.635 147 H LEU 23 H LEU 23 -4.409 -6.234 -0.463 148 HA LEU 23 HA LEU 23 -2.284 -8.141 -0.407 149 2HB LEU 23 2HB LEU 23 -1.951 -7.316 1.943 150 HG LEU 23 HG LEU 23 -2.315 -5.236 -0.240 151 1HD1 LEU 23 1HD1 LEU 23 -2.706 -4.090 1.920 152 2HD1 LEU 23 2HD1 LEU 23 -1.189 -4.751 2.536 153 3HD1 LEU 23 3HD1 LEU 23 -1.172 -3.617 1.178 154 1HD2 LEU 23 1HD2 LEU 23 0.195 -6.182 1.181 155 2HD2 LEU 23 2HD2 LEU 23 -0.392 -6.884 -0.330 156 3HD2 LEU 23 3HD2 LEU 23 0.075 -5.173 -0.267 157 H ARG 24 H ARG 24 -5.434 -8.106 1.325 158 HA ARG 24 HA ARG 24 -5.137 -10.620 2.653 159 2HB ARG 24 2HB ARG 24 -7.631 -9.152 1.687 160 2HG ARG 24 2HG ARG 24 -7.268 -11.352 3.747 161 2HD ARG 24 2HD ARG 24 -9.988 -10.360 3.462 162 HE ARG 24 HE ARG 24 -8.170 -11.046 5.647 163 1HH1 ARG 24 1HH2 ARG 24 -11.303 -9.590 5.045 164 2HH1 ARG 24 2HH2 ARG 24 -11.888 -9.996 6.637 165 1HH2 ARG 24 1HH1 ARG 24 -8.978 -11.524 7.644 166 2HH2 ARG 24 2HH1 ARG 24 -10.597 -11.051 8.067 167 H ALA 25 H ALA 25 -6.658 -9.967 -0.571 168 HA ALA 25 HA ALA 25 -7.257 -12.734 -1.059 169 1HB ALA 25 1HB ALA 25 -8.457 -10.874 -2.129 170 2HB ALA 25 2HB ALA 25 -6.978 -10.398 -2.999 171 3HB ALA 25 3HB ALA 25 -7.758 -11.957 -3.343 172 H THR 26 H THR 26 -4.405 -10.758 -1.867 173 HA THR 26 HA THR 26 -3.084 -12.674 -3.554 174 HB THR 26 HB THR 26 -2.122 -10.251 -1.997 175 HG1 THR 26 1HG THR 26 -2.195 -9.333 -4.001 176 1HG2 THR 26 1HG2 THR 26 -0.180 -11.771 -2.393 177 2HG2 THR 26 2HG2 THR 26 -0.572 -11.789 -4.125 178 3HG2 THR 26 3HG2 THR 26 -0.086 -10.277 -3.319 179 H GLY 27 H GLY 27 -2.646 -11.892 -0.040 180 1HA GLY 27 2HA GLY 27 -2.358 -14.318 1.049 181 2HA GLY 27 3HA GLY 27 -0.801 -14.216 0.230 182 H PHE 28 H PHE 28 -1.993 -11.232 1.594 183 HA PHE 28 HA PHE 28 -0.095 -11.416 3.884 184 2HB PHE 28 2HB PHE 28 1.010 -9.454 3.198 185 HD1 PHE 28 2HD PHE 28 2.620 -11.419 3.085 186 HD2 PHE 28 1HD PHE 28 0.355 -10.003 -0.302 187 HE1 PHE 28 2HE PHE 28 4.173 -12.602 1.545 188 HE2 PHE 28 1HE PHE 28 1.941 -11.156 -1.836 189 HZ PHE 28 HZ PHE 28 3.788 -12.507 -0.914 190 HA PRO 29 HA PRO 29 -4.039 -8.913 4.752 191 2HB PRO 29 2HB PRO 29 -5.401 -10.644 5.289 192 2HG PRO 29 2HG PRO 29 -4.538 -12.749 5.915 193 2HD PRO 29 2HD PRO 29 -3.273 -12.276 4.005 194 H GLN 30 H GLN 30 -1.241 -9.882 6.599 195 HA GLN 30 HA GLN 30 -1.408 -8.049 8.791 196 2HB GLN 30 2HB GLN 30 0.920 -9.394 7.369 197 2HG GLN 30 2HG GLN 30 1.857 -7.556 8.686 198 1HE2 GLN 30 2HE2 GLN 30 0.357 -6.134 9.864 199 2HE2 GLN 30 1HE2 GLN 30 0.055 -6.445 11.574 200 H TYR 31 H TYR 31 -0.057 -7.568 5.448 201 HA TYR 31 HA TYR 31 1.269 -5.084 6.109 202 2HB TYR 31 2HB TYR 31 1.099 -4.733 3.577 203 HD1 TYR 31 1HD TYR 31 3.351 -5.307 5.537 204 HD2 TYR 31 2HD TYR 31 1.696 -7.574 2.265 205 HE1 TYR 31 1HE TYR 31 5.536 -6.441 5.198 206 HE2 TYR 31 2HE TYR 31 3.846 -8.763 1.986 207 HH TYR 31 HH TYR 31 6.013 -8.926 2.669 208 H ALA 32 H ALA 32 -1.988 -5.814 4.935 209 HA ALA 32 HA ALA 32 -2.916 -3.110 4.662 210 1HB ALA 32 1HB ALA 32 -4.048 -5.126 3.778 211 2HB ALA 32 2HB ALA 32 -4.404 -5.667 5.430 212 3HB ALA 32 3HB ALA 32 -5.116 -4.157 4.834 213 H GLN 33 H GLN 33 -3.015 -5.426 7.419 214 HA GLN 33 HA GLN 33 -4.233 -3.731 9.303 215 2HB GLN 33 2HB GLN 33 -2.198 -5.442 10.527 216 2HG GLN 33 2HG GLN 33 -4.544 -4.727 11.404 217 1HE2 GLN 33 2HE2 GLN 33 -5.210 -8.105 10.948 218 2HE2 GLN 33 1HE2 GLN 33 -6.612 -7.894 9.912 219 H LEU 34 H LEU 34 -0.756 -3.997 8.500 220 HA LEU 34 HA LEU 34 0.238 -2.258 10.538 221 2HB LEU 34 2HB LEU 34 2.035 -1.953 8.609 222 HG LEU 34 HG LEU 34 1.530 -4.300 10.370 223 1HD1 LEU 34 1HD1 LEU 34 2.315 -5.353 8.274 224 2HD1 LEU 34 2HD1 LEU 34 3.718 -4.280 8.249 225 3HD1 LEU 34 3HD1 LEU 34 3.534 -5.462 9.558 226 1HD2 LEU 34 1HD2 LEU 34 4.035 -2.626 9.991 227 2HD2 LEU 34 2HD2 LEU 34 2.719 -2.154 11.086 228 3HD2 LEU 34 3HD2 LEU 34 3.620 -3.662 11.361 229 H TYR 35 H TYR 35 -1.009 -1.439 7.262 230 HA TYR 35 HA TYR 35 -0.493 1.430 7.656 231 2HB TYR 35 2HB TYR 35 -2.148 -0.115 5.640 232 HD1 TYR 35 2HD TYR 35 -4.093 1.424 5.679 233 HD2 TYR 35 1HD TYR 35 -0.091 2.870 4.944 234 HE1 TYR 35 2HE TYR 35 -5.023 3.450 4.591 235 HE2 TYR 35 1HE TYR 35 -1.041 4.848 3.777 236 HH TYR 35 HH TYR 35 -4.559 5.306 3.306 237 H GLU 36 H GLU 36 -3.387 -0.701 7.856 238 HA GLU 36 HA GLU 36 -5.211 1.386 8.556 239 2HB GLU 36 2HB GLU 36 -6.614 -0.568 9.397 240 2HG GLU 36 2HG GLU 36 -6.499 -1.860 7.121 241 H ASP 37 H ASP 37 -2.777 -0.172 10.490 242 HA ASP 37 HA ASP 37 -3.680 0.521 13.103 243 2HB ASP 37 2HB ASP 37 -0.804 0.420 12.115 244 H PHE 38 H PHE 38 -1.314 2.316 11.022 245 HA PHE 38 HA PHE 38 -2.342 4.910 11.779 246 2HB PHE 38 2HB PHE 38 0.424 4.786 12.856 247 HD1 PHE 38 1HD PHE 38 -0.528 7.313 12.399 248 HD2 PHE 38 2HD PHE 38 -2.015 4.597 15.404 249 HE1 PHE 38 1HE PHE 38 -1.558 9.209 13.596 250 HE2 PHE 38 2HE PHE 38 -3.023 6.510 16.621 251 HZ PHE 38 HZ PHE 38 -2.815 8.818 15.709 252 H LEU 39 H LEU 39 -1.657 3.622 9.279 253 HA LEU 39 HA LEU 39 -0.492 3.784 7.376 254 2HB LEU 39 2HB LEU 39 -0.374 5.811 6.333 255 HG LEU 39 HG LEU 39 -2.779 5.298 7.389 256 1HD1 LEU 39 1HD1 LEU 39 -2.388 6.593 9.523 257 2HD1 LEU 39 2HD1 LEU 39 -2.038 8.033 8.559 258 3HD1 LEU 39 3HD1 LEU 39 -3.661 7.317 8.544 259 1HD2 LEU 39 1HD2 LEU 39 -2.022 7.982 6.152 260 2HD2 LEU 39 2HD2 LEU 39 -2.297 6.499 5.252 261 3HD2 LEU 39 3HD2 LEU 39 -3.637 7.233 6.139 262 H PHE 40 H PHE 40 1.253 2.487 8.110 263 HA PHE 40 HA PHE 40 3.629 3.608 9.256 264 2HB PHE 40 2HB PHE 40 2.690 1.362 9.712 265 HD1 PHE 40 1HD PHE 40 1.673 1.174 6.742 266 HD2 PHE 40 2HD PHE 40 4.951 -0.703 8.823 267 HE1 PHE 40 1HE PHE 40 1.580 -0.727 5.177 268 HE2 PHE 40 2HE PHE 40 4.884 -2.576 7.208 269 HZ PHE 40 HZ PHE 40 3.188 -2.601 5.392 270 HA PRO 41 HA PRO 41 5.553 4.408 5.205 271 2HB PRO 41 2HB PRO 41 5.548 6.589 5.937 272 2HG PRO 41 2HG PRO 41 6.112 7.189 8.142 273 2HD PRO 41 2HD PRO 41 4.486 5.635 8.599 274 H ILE 42 H ILE 42 6.321 2.070 5.365 275 HA ILE 42 HA ILE 42 9.121 1.761 6.265 276 HB ILE 42 HB ILE 42 8.955 -0.478 6.074 277 2HG1 ILE 42 2HG1 ILE 42 8.509 -1.159 3.982 278 1HG2 ILE 42 1HG2 ILE 42 7.389 0.509 7.735 279 2HG2 ILE 42 2HG2 ILE 42 6.079 0.251 6.560 280 3HG2 ILE 42 3HG2 ILE 42 6.986 -1.134 7.224 281 1HD1 ILE 42 1HD1 ILE 42 6.897 -2.579 5.370 282 2HD1 ILE 42 2HD1 ILE 42 5.620 -1.461 4.817 283 3HD1 ILE 42 3HD1 ILE 42 6.526 -2.408 3.644 284 H ASP 43 H ASP 43 10.758 0.809 4.841 285 HA ASP 43 HA ASP 43 10.764 1.980 2.108 286 2HB ASP 43 2HB ASP 43 12.899 0.453 3.653 287 H ILE 44 H ILE 44 10.295 0.740 0.337 288 HA ILE 44 HA ILE 44 9.481 -2.009 0.462 289 HB ILE 44 HB ILE 44 10.385 -0.314 -1.879 290 2HG1 ILE 44 2HG1 ILE 44 8.016 -0.185 -2.427 291 1HG2 ILE 44 1HG2 ILE 44 10.782 -2.602 -2.544 292 2HG2 ILE 44 2HG2 ILE 44 9.226 -3.137 -1.889 293 3HG2 ILE 44 3HG2 ILE 44 9.296 -2.072 -3.309 294 1HD1 ILE 44 1HD1 ILE 44 7.179 -2.320 -1.338 295 2HD1 ILE 44 2HD1 ILE 44 7.355 -1.515 0.236 296 3HD1 ILE 44 3HD1 ILE 44 6.240 -0.873 -0.973 297 H SER 45 H SER 45 12.713 -0.550 -0.032 298 HA SER 45 HA SER 45 14.010 -3.037 -0.684 299 2HB SER 45 2HB SER 45 16.073 -1.769 0.249 300 HG SER 45 HG SER 45 16.105 -0.546 -1.671 301 H LEU 46 H LEU 46 12.643 -2.087 2.360 302 HA LEU 46 HA LEU 46 14.333 -3.984 3.886 303 2HB LEU 46 2HB LEU 46 12.823 -1.702 4.563 304 HG LEU 46 HG LEU 46 10.817 -3.151 5.113 305 1HD1 LEU 46 1HD1 LEU 46 11.955 -5.219 5.975 306 2HD1 LEU 46 2HD1 LEU 46 12.695 -4.252 7.261 307 3HD1 LEU 46 3HD1 LEU 46 10.936 -4.482 7.202 308 1HD2 LEU 46 1HD2 LEU 46 12.249 -1.817 7.434 309 2HD2 LEU 46 2HD2 LEU 46 11.288 -0.992 6.191 310 3HD2 LEU 46 3HD2 LEU 46 10.503 -2.128 7.299 311 H VAL 47 H VAL 47 10.850 -3.740 2.920 312 HA VAL 47 HA VAL 47 10.302 -6.444 3.763 313 HB VAL 47 HB VAL 47 8.189 -6.226 2.383 314 1HG1 VAL 47 1HG1 VAL 47 8.345 -5.752 4.816 315 2HG1 VAL 47 2HG1 VAL 47 8.719 -4.055 4.448 316 3HG1 VAL 47 3HG1 VAL 47 7.146 -4.748 3.994 317 1HG2 VAL 47 1HG2 VAL 47 9.055 -3.317 2.132 318 2HG2 VAL 47 2HG2 VAL 47 9.026 -4.478 0.774 319 3HG2 VAL 47 3HG2 VAL 47 7.535 -4.030 1.588 320 H LYS 48 H LYS 48 11.280 -5.145 0.609 321 HA LYS 48 HA LYS 48 11.095 -7.524 -0.939 322 2HB LYS 48 2HB LYS 48 13.111 -5.247 -0.957 323 2HG LYS 48 2HG LYS 48 12.475 -6.729 -3.494 324 2HD LYS 48 2HD LYS 48 15.034 -6.310 -3.743 325 2HE LYS 48 2HE LYS 48 14.634 -3.683 -3.916 326 1HZ LYS 48 1HZ LYS 48 14.768 -5.166 -5.822 327 2HZ LYS 48 2HZ LYS 48 13.202 -5.605 -5.672 328 3HZ LYS 48 3HZ LYS 48 13.593 -4.066 -6.066 329 H ARG 49 H ARG 49 13.686 -6.452 1.270 330 HA ARG 49 HA ARG 49 15.428 -8.682 0.704 331 2HB ARG 49 2HB ARG 49 15.722 -7.473 3.394 332 2HG ARG 49 2HG ARG 49 17.407 -7.379 0.852 333 2HD ARG 49 2HD ARG 49 18.961 -7.314 3.282 334 HE ARG 49 HE ARG 49 18.847 -4.791 1.901 335 1HH1 ARG 49 1HH2 ARG 49 19.951 -8.070 1.334 336 2HH1 ARG 49 2HH2 ARG 49 21.145 -7.561 0.171 337 1HH2 ARG 49 1HH1 ARG 49 20.412 -4.213 0.439 338 2HH2 ARG 49 2HH1 ARG 49 21.398 -5.435 -0.310 339 H GLU 50 H GLU 50 12.987 -8.141 3.220 340 HA GLU 50 HA GLU 50 13.404 -10.686 4.547 341 2HB GLU 50 2HB GLU 50 11.096 -10.103 5.537 342 2HG GLU 50 2HG GLU 50 11.956 -8.069 6.764 343 H HIS 51 H HIS 51 11.227 -9.706 1.913 344 HA HIS 51 HA HIS 51 10.219 -12.498 1.687 345 1HB HIS 51 2HB HIS 51 9.025 -9.821 1.050 346 2HB HIS 51 3HB HIS 51 8.564 -11.186 0.063 347 HD1 HIS 51 1HD HIS 51 7.221 -13.188 1.221 348 HD2 HIS 51 2HD HIS 51 8.258 -9.953 3.700 349 HE1 HIS 51 1HE HIS 51 5.902 -13.498 3.380 350 H ASP 52 H ASP 52 12.893 -11.593 0.787 351 HA ASP 52 HA ASP 52 13.178 -11.711 -2.015 352 2HB ASP 52 2HB ASP 52 14.920 -12.759 0.242 353 H PHE 53 H PHE 53 12.081 -14.227 0.095 354 HA PHE 53 HA PHE 53 12.489 -16.597 -1.428 355 2HB PHE 53 2HB PHE 53 10.318 -15.563 0.412 356 HD1 PHE 53 2HD PHE 53 11.412 -18.922 -0.934 357 HD2 PHE 53 1HD PHE 53 8.136 -16.289 0.037 358 HE1 PHE 53 2HE PHE 53 9.794 -20.648 -1.692 359 HE2 PHE 53 1HE PHE 53 6.524 -18.018 -0.715 360 HZ PHE 53 HZ PHE 53 7.350 -20.193 -1.596 361 H LEU 54 H LEU 54 10.140 -13.940 -1.867 362 HA LEU 54 HA LEU 54 8.643 -15.317 -3.986 363 2HB LEU 54 2HB LEU 54 7.344 -13.307 -4.062 364 HG LEU 54 HG LEU 54 8.007 -13.804 -1.141 365 1HD1 LEU 54 1HD1 LEU 54 7.049 -11.537 -1.608 366 2HD1 LEU 54 2HD1 LEU 54 5.663 -12.314 -2.384 367 3HD1 LEU 54 3HD1 LEU 54 5.990 -12.577 -0.651 368 1HD2 LEU 54 1HD2 LEU 54 5.652 -14.710 -2.867 369 2HD2 LEU 54 2HD2 LEU 54 6.985 -15.754 -2.336 370 3HD2 LEU 54 3HD2 LEU 54 5.887 -15.047 -1.139 371 H ASP 55 H ASP 55 8.391 -14.303 -6.146 372 HA ASP 55 HA ASP 55 10.934 -13.662 -7.410 373 2HB ASP 55 2HB ASP 55 9.583 -13.315 -9.435 374 H ARG 56 H ARG 56 11.444 -11.715 -8.570 375 HA ARG 56 HA ARG 56 10.901 -9.164 -7.428 376 2HB ARG 56 2HB ARG 56 12.792 -9.642 -8.908 377 2HG ARG 56 2HG ARG 56 11.159 -9.257 -11.394 378 2HD ARG 56 2HD ARG 56 13.555 -10.969 -10.623 379 HE ARG 56 HE ARG 56 11.818 -11.282 -12.894 380 1HH1 ARG 56 1HH2 ARG 56 15.234 -11.339 -12.129 381 2HH1 ARG 56 2HH2 ARG 56 15.590 -12.491 -13.388 382 1HH2 ARG 56 1HH1 ARG 56 12.329 -12.767 -14.457 383 2HH2 ARG 56 2HH1 ARG 56 13.979 -13.269 -14.675 384 H ASP 57 H ASP 57 9.015 -10.951 -9.844 385 HA ASP 57 HA ASP 57 7.195 -8.815 -10.525 386 2HB ASP 57 2HB ASP 57 6.942 -11.845 -10.566 387 H ALA 58 H ALA 58 7.007 -11.442 -8.061 388 HA ALA 58 HA ALA 58 4.481 -10.654 -6.944 389 1HB ALA 58 1HB ALA 58 5.478 -12.872 -6.576 390 2HB ALA 58 2HB ALA 58 6.862 -12.116 -5.758 391 3HB ALA 58 3HB ALA 58 5.247 -12.040 -5.020 392 H ILE 59 H ILE 59 7.887 -9.746 -6.128 393 HA ILE 59 HA ILE 59 7.040 -7.979 -4.042 394 HB ILE 59 HB ILE 59 9.520 -8.917 -4.922 395 2HG1 ILE 59 2HG1 ILE 59 10.354 -7.947 -2.876 396 1HG2 ILE 59 1HG2 ILE 59 9.828 -6.933 -6.391 397 2HG2 ILE 59 2HG2 ILE 59 9.665 -5.873 -4.980 398 3HG2 ILE 59 3HG2 ILE 59 11.001 -7.033 -5.092 399 1HD1 ILE 59 1HD1 ILE 59 9.209 -5.724 -2.746 400 2HD1 ILE 59 2HD1 ILE 59 7.654 -6.546 -2.508 401 3HD1 ILE 59 3HD1 ILE 59 8.924 -6.701 -1.302 402 H GLU 60 H GLU 60 7.564 -7.303 -7.555 403 HA GLU 60 HA GLU 60 7.111 -4.471 -7.259 404 2HB GLU 60 2HB GLU 60 6.422 -4.637 -9.708 405 2HG GLU 60 2HG GLU 60 9.088 -5.903 -9.682 406 H ALA 61 H ALA 61 4.856 -7.196 -7.778 407 HA ALA 61 HA ALA 61 2.487 -5.593 -8.004 408 1HB ALA 61 1HB ALA 61 2.782 -7.973 -8.743 409 2HB ALA 61 2HB ALA 61 2.802 -8.471 -7.037 410 3HB ALA 61 3HB ALA 61 1.355 -7.716 -7.742 411 H LEU 62 H LEU 62 3.956 -7.283 -5.177 412 HA LEU 62 HA LEU 62 2.149 -6.297 -3.190 413 2HB LEU 62 2HB LEU 62 5.014 -7.300 -3.136 414 HG LEU 62 HG LEU 62 4.732 -5.939 -1.138 415 1HD1 LEU 62 1HD1 LEU 62 2.242 -6.024 -0.937 416 2HD1 LEU 62 2HD1 LEU 62 2.356 -7.738 -0.475 417 3HD1 LEU 62 3HD1 LEU 62 3.062 -6.464 0.547 418 1HD2 LEU 62 1HD2 LEU 62 4.537 -8.896 -0.476 419 2HD2 LEU 62 2HD2 LEU 62 5.999 -8.085 -1.080 420 3HD2 LEU 62 3HD2 LEU 62 5.320 -7.610 0.480 421 H CYS 63 H CYS 63 5.302 -5.043 -4.319 422 HA CYS 63 HA CYS 63 5.452 -2.669 -2.804 423 2HB CYS 63 2HB CYS 63 6.409 -3.354 -5.600 424 HG CYS 63 HG CYS 63 8.245 -1.496 -5.566 425 H ARG 64 H ARG 64 3.537 -3.272 -5.850 426 HA ARG 64 HA ARG 64 2.831 -0.561 -6.180 427 2HB ARG 64 2HB ARG 64 0.973 -2.910 -6.706 428 2HG ARG 64 2HG ARG 64 1.258 -0.084 -7.780 429 2HD ARG 64 2HD ARG 64 0.060 -2.504 -9.180 430 HE ARG 64 HE ARG 64 -0.744 0.198 -9.428 431 1HH1 ARG 64 1HH2 ARG 64 0.444 -2.301 -11.568 432 2HH1 ARG 64 2HH2 ARG 64 -0.398 -1.661 -12.953 433 1HH2 ARG 64 1HH1 ARG 64 -1.802 0.976 -11.233 434 2HH2 ARG 64 2HH1 ARG 64 -1.639 0.155 -12.758 435 H ARG 65 H ARG 65 1.292 -2.944 -4.016 436 HA ARG 65 HA ARG 65 -0.612 -0.921 -2.965 437 2HB ARG 65 2HB ARG 65 -0.960 -2.876 -1.229 438 2HG ARG 65 2HG ARG 65 -2.660 -2.232 -2.827 439 2HD ARG 65 2HD ARG 65 -1.220 -4.005 -4.836 440 HE ARG 65 HE ARG 65 -3.961 -3.069 -4.809 441 1HH1 ARG 65 1HH2 ARG 65 -1.288 -3.670 -6.977 442 2HH1 ARG 65 2HH2 ARG 65 -2.300 -3.607 -8.399 443 1HH2 ARG 65 1HH1 ARG 65 -5.107 -2.679 -6.713 444 2HH2 ARG 65 2HH1 ARG 65 -4.459 -3.288 -8.206 445 H LEU 66 H LEU 66 2.243 -2.661 -1.602 446 HA LEU 66 HA LEU 66 2.238 -1.147 0.798 447 2HB LEU 66 2HB LEU 66 4.778 -1.726 0.780 448 HG LEU 66 HG LEU 66 2.789 -4.022 0.702 449 1HD1 LEU 66 1HD1 LEU 66 5.280 -4.566 0.593 450 2HD1 LEU 66 2HD1 LEU 66 5.439 -3.746 2.160 451 3HD1 LEU 66 3HD1 LEU 66 4.439 -5.195 2.019 452 1HD2 LEU 66 1HD2 LEU 66 3.626 -2.071 2.892 453 2HD2 LEU 66 2HD2 LEU 66 1.983 -2.572 2.422 454 3HD2 LEU 66 3HD2 LEU 66 3.047 -3.694 3.271 455 H ASN 67 H ASN 67 4.024 -0.295 -2.250 456 HA ASN 67 HA ASN 67 5.141 2.124 -1.255 457 2HB ASN 67 2HB ASN 67 4.166 1.474 -4.061 458 1HD2 ASN 67 2HD2 ASN 67 4.254 3.133 -5.486 459 2HD2 ASN 67 1HD2 ASN 67 5.184 4.599 -5.223 460 H THR 68 H THR 68 1.921 1.560 -2.837 461 HA THR 68 HA THR 68 0.966 4.219 -2.619 462 HB THR 68 HB THR 68 -0.227 1.498 -2.915 463 HG1 THR 68 1HG THR 68 -1.234 3.029 -4.618 464 1HG2 THR 68 1HG2 THR 68 -1.855 2.356 -1.368 465 2HG2 THR 68 2HG2 THR 68 -1.959 3.890 -2.270 466 3HG2 THR 68 3HG2 THR 68 -2.500 2.345 -2.999 467 H LEU 69 H LEU 69 0.808 1.601 -0.187 468 HA LEU 69 HA LEU 69 -0.538 3.209 1.807 469 2HB LEU 69 2HB LEU 69 0.176 1.307 3.302 470 HG LEU 69 HG LEU 69 -0.946 0.248 0.680 471 1HD1 LEU 69 1HD1 LEU 69 -0.237 -1.497 2.197 472 2HD1 LEU 69 2HD1 LEU 69 -1.125 -0.748 3.534 473 3HD1 LEU 69 3HD1 LEU 69 -2.009 -1.428 2.169 474 1HD2 LEU 69 1HD2 LEU 69 -2.545 1.354 2.962 475 2HD2 LEU 69 2HD2 LEU 69 -2.348 2.143 1.382 476 3HD2 LEU 69 3HD2 LEU 69 -3.163 0.596 1.509 477 H ASN 70 H ASN 70 2.903 2.262 1.520 478 HA ASN 70 HA ASN 70 3.989 3.794 3.597 479 2HB ASN 70 2HB ASN 70 6.124 3.537 2.390 480 1HD2 ASN 70 2HD2 ASN 70 6.459 1.080 0.878 481 2HD2 ASN 70 1HD2 ASN 70 6.049 -0.208 2.002 482 H LYS 71 H LYS 71 3.071 4.804 0.342 483 HA LYS 71 HA LYS 71 4.271 7.432 0.349 484 2HB LYS 71 2HB LYS 71 2.139 6.042 -1.308 485 2HG LYS 71 2HG LYS 71 3.075 8.158 -2.841 486 2HD LYS 71 2HD LYS 71 0.686 9.170 -2.217 487 2HE LYS 71 2HE LYS 71 -0.489 7.319 -3.487 488 1HZ LYS 71 1HZ LYS 71 0.604 9.160 -4.662 489 2HZ LYS 71 2HZ LYS 71 2.005 8.317 -4.757 490 3HZ LYS 71 3HZ LYS 71 0.674 7.787 -5.539 491 H CYS 72 H CYS 72 0.805 6.432 0.835 492 HA CYS 72 HA CYS 72 0.042 9.030 1.832 493 2HB CYS 72 2HB CYS 72 -1.935 7.748 2.766 494 HG CYS 72 HG CYS 72 -3.131 7.188 0.533 495 H ALA 73 H ALA 73 1.575 6.270 3.423 496 HA ALA 73 HA ALA 73 1.332 7.149 6.111 497 1HB ALA 73 1HB ALA 73 2.045 4.903 5.463 498 2HB ALA 73 2HB ALA 73 3.502 5.565 4.701 499 3HB ALA 73 3HB ALA 73 3.307 5.709 6.422 500 H VAL 74 H VAL 74 3.893 8.064 3.692 501 HA VAL 74 HA VAL 74 5.044 9.941 5.669 502 HB VAL 74 HB VAL 74 6.507 10.743 3.888 503 1HG1 VAL 74 1HG1 VAL 74 7.124 8.818 5.362 504 2HG1 VAL 74 2HG1 VAL 74 6.583 7.724 4.056 505 3HG1 VAL 74 3HG1 VAL 74 7.939 8.829 3.788 506 1HG2 VAL 74 1HG2 VAL 74 5.324 8.560 2.133 507 2HG2 VAL 74 2HG2 VAL 74 5.127 10.309 1.889 508 3HG2 VAL 74 3HG2 VAL 74 6.727 9.574 1.762 509 H MET 75 H MET 75 2.582 10.091 3.196 510 HA MET 75 HA MET 75 2.528 13.057 3.338 511 2HB MET 75 2HB MET 75 1.299 12.995 1.263 512 2HG MET 75 2HG MET 75 3.479 11.049 0.686 513 1HE MET 75 1HE MET 75 2.067 10.884 -1.612 514 2HE MET 75 2HE MET 75 0.870 12.087 -1.091 515 3HE MET 75 3HE MET 75 1.698 12.270 -2.653 516 H LYS 76 H LYS 76 1.294 11.349 5.417 517 HA LYS 76 HA LYS 76 -0.351 11.513 6.925 518 2HB LYS 76 2HB LYS 76 -1.949 13.335 6.972 519 2HG LYS 76 2HG LYS 76 0.626 13.646 7.548 520 2HD LYS 76 2HD LYS 76 0.173 15.905 5.533 521 2HE LYS 76 2HE LYS 76 2.825 15.715 5.761 522 1HZ LYS 76 1HZ LYS 76 1.611 17.665 6.494 523 2HZ LYS 76 2HZ LYS 76 1.190 16.953 7.907 524 3HZ LYS 76 3HZ LYS 76 2.755 17.299 7.595 Start of MODEL 2 1 1H MET 1 H MET 1 -8.763 23.745 -0.878 2 HA MET 1 HA MET 1 -6.502 24.802 -2.229 3 2HB MET 1 2HB MET 1 -5.611 22.039 -1.523 4 2HG MET 1 2HG MET 1 -4.310 23.666 -2.947 5 1HE MET 1 1HE MET 1 -1.634 24.891 -1.688 6 2HE MET 1 2HE MET 1 -2.397 25.593 -3.135 7 3HE MET 1 3HE MET 1 -1.949 26.638 -1.768 8 H CYS 2 H CYS 2 -7.857 24.826 -3.995 9 HA CYS 2 HA CYS 2 -9.442 24.243 -5.482 10 2HB CYS 2 2HB CYS 2 -9.115 21.855 -6.538 11 HG CYS 2 HG CYS 2 -7.247 22.528 -8.085 12 H ARG 3 H ARG 3 -11.116 22.487 -6.155 13 HA ARG 3 HA ARG 3 -12.814 21.854 -3.791 14 2HB ARG 3 2HB ARG 3 -14.377 21.144 -5.793 15 2HG ARG 3 2HG ARG 3 -13.698 23.851 -4.753 16 2HD ARG 3 2HD ARG 3 -15.642 24.630 -6.389 17 HE ARG 3 HE ARG 3 -12.894 25.138 -6.347 18 1HH1 ARG 3 1HH2 ARG 3 -15.379 25.258 -8.815 19 2HH1 ARG 3 2HH2 ARG 3 -14.647 26.631 -9.604 20 1HH2 ARG 3 1HH1 ARG 3 -12.036 26.897 -7.384 21 2HH2 ARG 3 2HH1 ARG 3 -12.805 27.524 -8.810 22 H LYS 4 H LYS 4 -13.769 19.841 -3.524 23 HA LYS 4 HA LYS 4 -12.002 17.534 -4.040 24 2HB LYS 4 2HB LYS 4 -12.691 18.014 -1.771 25 2HG LYS 4 2HG LYS 4 -15.482 16.992 -2.282 26 2HD LYS 4 2HD LYS 4 -14.284 18.882 -0.216 27 2HE LYS 4 2HE LYS 4 -17.035 17.564 -0.301 28 1HZ LYS 4 1HZ LYS 4 -16.243 18.315 1.894 29 2HZ LYS 4 2HZ LYS 4 -15.966 19.820 1.318 30 3HZ LYS 4 3HZ LYS 4 -17.489 19.247 1.395 31 H LYS 5 H LYS 5 -12.247 16.960 -6.128 32 HA LYS 5 HA LYS 5 -14.683 16.718 -7.567 33 2HB LYS 5 2HB LYS 5 -13.135 14.914 -8.853 34 2HG LYS 5 2HG LYS 5 -13.018 17.938 -8.826 35 2HD LYS 5 2HD LYS 5 -11.457 16.029 -10.634 36 2HE LYS 5 2HE LYS 5 -10.738 18.326 -11.636 37 1HZ LYS 5 1HZ LYS 5 -12.069 16.773 -12.916 38 2HZ LYS 5 2HZ LYS 5 -13.462 17.300 -12.238 39 3HZ LYS 5 3HZ LYS 5 -12.596 18.287 -13.204 40 HA PRO 6 HA PRO 6 -16.361 13.214 -5.379 41 2HB PRO 6 2HB PRO 6 -18.324 14.395 -5.673 42 2HG PRO 6 2HG PRO 6 -18.914 15.371 -7.771 43 2HD PRO 6 2HD PRO 6 -16.861 16.301 -7.127 44 H ASP 7 H ASP 7 -14.328 12.369 -7.003 45 HA ASP 7 HA ASP 7 -15.102 9.610 -7.429 46 2HB ASP 7 2HB ASP 7 -13.605 10.054 -9.800 47 H THR 8 H THR 8 -12.385 11.794 -8.386 48 HA THR 8 HA THR 8 -10.343 9.962 -7.729 49 HB THR 8 HB THR 8 -9.843 11.696 -9.220 50 HG1 THR 8 1HG THR 8 -7.963 12.550 -8.291 51 1HG2 THR 8 1HG2 THR 8 -11.290 13.480 -8.498 52 2HG2 THR 8 2HG2 THR 8 -10.356 13.720 -7.002 53 3HG2 THR 8 3HG2 THR 8 -9.636 14.074 -8.585 54 H MET 9 H MET 9 -11.837 12.420 -5.649 55 HA MET 9 HA MET 9 -10.076 12.164 -3.394 56 2HB MET 9 2HB MET 9 -12.103 13.115 -2.155 57 2HG MET 9 2HG MET 9 -12.160 15.197 -3.723 58 1HE MET 9 1HE MET 9 -8.765 15.684 -4.460 59 2HE MET 9 2HE MET 9 -9.901 16.975 -4.003 60 3HE MET 9 3HE MET 9 -8.420 16.720 -3.059 61 H ILE 10 H ILE 10 -12.630 10.102 -4.557 62 HA ILE 10 HA ILE 10 -12.672 8.464 -2.068 63 HB ILE 10 HB ILE 10 -14.358 8.428 -4.588 64 2HG1 ILE 10 2HG1 ILE 10 -14.617 10.151 -2.512 65 1HG2 ILE 10 1HG2 ILE 10 -14.118 6.100 -3.871 66 2HG2 ILE 10 2HG2 ILE 10 -14.461 6.545 -2.187 67 3HG2 ILE 10 3HG2 ILE 10 -15.723 6.669 -3.425 68 1HD1 ILE 10 1HD1 ILE 10 -16.144 10.089 -4.416 69 2HD1 ILE 10 2HD1 ILE 10 -16.983 8.678 -3.726 70 3HD1 ILE 10 3HD1 ILE 10 -17.023 10.243 -2.883 71 H LEU 11 H LEU 11 -11.667 8.281 -5.531 72 HA LEU 11 HA LEU 11 -10.766 5.664 -5.663 73 2HB LEU 11 2HB LEU 11 -9.586 8.148 -6.893 74 HG LEU 11 HG LEU 11 -9.241 6.606 -8.888 75 1HD1 LEU 11 1HD1 LEU 11 -7.415 7.744 -7.718 76 2HD1 LEU 11 2HD1 LEU 11 -7.247 6.360 -6.620 77 3HD1 LEU 11 3HD1 LEU 11 -6.943 6.166 -8.350 78 1HD2 LEU 11 1HD2 LEU 11 -8.897 4.431 -6.791 79 2HD2 LEU 11 2HD2 LEU 11 -10.260 4.548 -7.937 80 3HD2 LEU 11 3HD2 LEU 11 -8.605 4.323 -8.536 81 H THR 12 H THR 12 -8.930 8.449 -4.329 82 HA THR 12 HA THR 12 -6.658 6.985 -3.400 83 HB THR 12 HB THR 12 -7.977 9.564 -2.534 84 HG1 THR 12 1HG THR 12 -6.105 10.376 -3.570 85 1HG2 THR 12 1HG2 THR 12 -6.822 8.900 -0.535 86 2HG2 THR 12 2HG2 THR 12 -5.374 8.410 -1.448 87 3HG2 THR 12 3HG2 THR 12 -5.845 10.125 -1.345 88 H GLN 13 H GLN 13 -9.886 7.274 -1.910 89 HA GLN 13 HA GLN 13 -9.047 6.027 0.602 90 2HB GLN 13 2HB GLN 13 -11.244 7.591 -0.173 91 2HG GLN 13 2HG GLN 13 -12.199 4.827 0.708 92 1HE2 GLN 13 2HE2 GLN 13 -14.421 4.613 1.237 93 2HE2 GLN 13 1HE2 GLN 13 -15.380 6.026 1.657 94 H ILE 14 H ILE 14 -10.829 4.903 -2.365 95 HA ILE 14 HA ILE 14 -11.036 2.211 -1.336 96 HB ILE 14 HB ILE 14 -12.573 2.350 -2.952 97 2HG1 ILE 14 2HG1 ILE 14 -11.223 0.332 -3.341 98 1HG2 ILE 14 1HG2 ILE 14 -12.028 4.474 -3.925 99 2HG2 ILE 14 2HG2 ILE 14 -10.634 3.749 -4.794 100 3HG2 ILE 14 3HG2 ILE 14 -12.317 3.355 -5.211 101 1HD1 ILE 14 1HD1 ILE 14 -13.225 0.762 -4.848 102 2HD1 ILE 14 2HD1 ILE 14 -12.073 1.361 -6.076 103 3HD1 ILE 14 3HD1 ILE 14 -11.975 -0.308 -5.519 104 H GLU 15 H GLU 15 -8.401 3.835 -3.194 105 HA GLU 15 HA GLU 15 -6.774 1.548 -3.429 106 2HB GLU 15 2HB GLU 15 -4.926 3.486 -3.009 107 2HG GLU 15 2HG GLU 15 -6.787 3.126 -5.392 108 H ALA 16 H ALA 16 -7.593 3.095 -0.378 109 HA ALA 16 HA ALA 16 -5.511 1.597 1.088 110 1HB ALA 16 1HB ALA 16 -6.212 3.793 1.914 111 2HB ALA 16 2HB ALA 16 -7.888 3.217 2.079 112 3HB ALA 16 3HB ALA 16 -6.614 2.507 3.070 113 H LYS 17 H LYS 17 -9.091 1.317 0.541 114 HA LYS 17 HA LYS 17 -9.255 -1.082 2.198 115 2HB LYS 17 2HB LYS 17 -11.077 0.732 1.638 116 2HG LYS 17 2HG LYS 17 -11.333 -0.055 -0.845 117 2HD LYS 17 2HD LYS 17 -12.852 -2.248 0.662 118 2HE LYS 17 2HE LYS 17 -12.963 -1.451 -2.282 119 1HZ LYS 17 1HZ LYS 17 -13.132 -3.851 -1.966 120 2HZ LYS 17 2HZ LYS 17 -14.293 -3.681 -0.828 121 3HZ LYS 17 3HZ LYS 17 -14.599 -3.268 -2.375 122 H GLU 18 H GLU 18 -9.062 -0.525 -1.270 123 HA GLU 18 HA GLU 18 -9.100 -3.304 -2.125 124 2HB GLU 18 2HB GLU 18 -7.582 -2.125 -4.031 125 2HG GLU 18 2HG GLU 18 -9.890 -1.174 -4.938 126 H ALA 19 H ALA 19 -6.488 -1.155 -0.800 127 HA ALA 19 HA ALA 19 -4.495 -3.195 -1.297 128 1HB ALA 19 1HB ALA 19 -3.884 -0.881 -0.715 129 2HB ALA 19 2HB ALA 19 -4.550 -1.144 0.920 130 3HB ALA 19 3HB ALA 19 -3.154 -2.079 0.360 131 H CYS 20 H CYS 20 -6.873 -2.731 1.404 132 HA CYS 20 HA CYS 20 -5.918 -5.021 2.851 133 2HB CYS 20 2HB CYS 20 -8.755 -3.941 2.857 134 HG CYS 20 HG CYS 20 -8.749 -4.644 5.453 135 H ASP 21 H ASP 21 -8.552 -4.844 0.406 136 HA ASP 21 HA ASP 21 -9.022 -7.671 0.434 137 2HB ASP 21 2HB ASP 21 -9.467 -5.700 -1.840 138 H TRP 22 H TRP 22 -6.869 -5.728 -1.670 139 HA TRP 22 HA TRP 22 -5.972 -7.892 -3.324 140 2HB TRP 22 2HB TRP 22 -4.620 -5.238 -2.751 141 HD1 TRP 22 HD TRP 22 -5.356 -6.311 -6.253 142 HE1 TRP 22 1HE TRP 22 -3.221 -7.018 -7.491 143 HE3 TRP 22 3HE TRP 22 -2.046 -6.267 -2.323 144 HZ2 TRP 22 2HZ TRP 22 -0.556 -7.779 -6.819 145 HZ3 TRP 22 3HZ TRP 22 0.254 -7.119 -2.638 146 HH2 TRP 22 HH TRP 22 1.002 -7.917 -4.866 147 H LEU 23 H LEU 23 -4.325 -6.258 -0.488 148 HA LEU 23 HA LEU 23 -2.027 -7.968 -0.563 149 2HB LEU 23 2HB LEU 23 -1.705 -7.257 1.835 150 HG LEU 23 HG LEU 23 -2.211 -5.096 -0.244 151 1HD1 LEU 23 1HD1 LEU 23 -2.613 -4.048 1.937 152 2HD1 LEU 23 2HD1 LEU 23 -1.132 -4.770 2.580 153 3HD1 LEU 23 3HD1 LEU 23 -1.034 -3.547 1.299 154 1HD2 LEU 23 1HD2 LEU 23 0.347 -6.083 1.090 155 2HD2 LEU 23 2HD2 LEU 23 -0.223 -6.617 -0.495 156 3HD2 LEU 23 3HD2 LEU 23 0.212 -4.920 -0.234 157 H ARG 24 H ARG 24 -5.114 -8.307 1.254 158 HA ARG 24 HA ARG 24 -4.607 -10.837 2.463 159 2HB ARG 24 2HB ARG 24 -7.151 -9.622 1.339 160 2HG ARG 24 2HG ARG 24 -7.302 -11.444 3.714 161 2HD ARG 24 2HD ARG 24 -9.204 -12.200 1.846 162 HE ARG 24 HE ARG 24 -10.267 -11.787 3.813 163 1HH1 ARG 24 1HH2 ARG 24 -8.790 -8.716 2.928 164 2HH1 ARG 24 2HH2 ARG 24 -9.676 -7.859 4.157 165 1HH2 ARG 24 1HH1 ARG 24 -11.351 -10.624 5.319 166 2HH2 ARG 24 2HH1 ARG 24 -11.095 -8.910 5.464 167 H ALA 25 H ALA 25 -6.225 -10.246 -0.720 168 HA ALA 25 HA ALA 25 -6.468 -13.001 -1.361 169 1HB ALA 25 1HB ALA 25 -7.862 -11.228 -2.329 170 2HB ALA 25 2HB ALA 25 -6.453 -10.554 -3.179 171 3HB ALA 25 3HB ALA 25 -7.071 -12.163 -3.606 172 H THR 26 H THR 26 -3.845 -10.720 -2.138 173 HA THR 26 HA THR 26 -2.283 -12.406 -3.855 174 HB THR 26 HB THR 26 -1.603 -10.045 -2.069 175 HG1 THR 26 1HG THR 26 -1.716 -8.969 -4.030 176 1HG2 THR 26 1HG2 THR 26 0.462 -11.446 -2.706 177 2HG2 THR 26 2HG2 THR 26 0.117 -10.998 -4.390 178 3HG2 THR 26 3HG2 THR 26 0.465 -9.750 -3.164 179 H GLY 27 H GLY 27 -2.415 -12.104 -0.298 180 1HA GLY 27 2HA GLY 27 -1.990 -14.406 0.703 181 2HA GLY 27 3HA GLY 27 -0.393 -14.321 -0.039 182 H PHE 28 H PHE 28 -1.526 -11.320 1.235 183 HA PHE 28 HA PHE 28 0.160 -11.547 3.688 184 2HB PHE 28 2HB PHE 28 1.246 -9.529 3.139 185 HD1 PHE 28 2HD PHE 28 2.815 -11.559 3.082 186 HD2 PHE 28 1HD PHE 28 0.866 -9.920 -0.411 187 HE1 PHE 28 2HE PHE 28 4.419 -12.767 1.615 188 HE2 PHE 28 1HE PHE 28 2.516 -11.098 -1.866 189 HZ PHE 28 HZ PHE 28 4.198 -12.591 -0.861 190 HA PRO 29 HA PRO 29 -3.933 -9.240 4.413 191 2HB PRO 29 2HB PRO 29 -5.253 -11.037 4.815 192 2HG PRO 29 2HG PRO 29 -4.352 -13.146 5.334 193 2HD PRO 29 2HD PRO 29 -3.056 -12.513 3.499 194 H GLN 30 H GLN 30 -1.202 -10.267 6.362 195 HA GLN 30 HA GLN 30 -1.459 -8.536 8.619 196 2HB GLN 30 2HB GLN 30 0.930 -9.732 7.152 197 2HG GLN 30 2HG GLN 30 1.828 -7.939 8.496 198 1HE2 GLN 30 2HE2 GLN 30 1.164 -6.388 9.974 199 2HE2 GLN 30 1HE2 GLN 30 0.377 -6.750 11.503 200 H TYR 31 H TYR 31 -0.108 -7.835 5.317 201 HA TYR 31 HA TYR 31 1.184 -5.392 6.155 202 2HB TYR 31 2HB TYR 31 0.932 -4.878 3.626 203 HD1 TYR 31 1HD TYR 31 3.235 -5.202 5.548 204 HD2 TYR 31 2HD TYR 31 1.866 -7.600 2.235 205 HE1 TYR 31 1HE TYR 31 5.552 -6.009 5.155 206 HE2 TYR 31 2HE TYR 31 4.139 -8.541 1.965 207 HH TYR 31 HH TYR 31 6.376 -8.363 2.619 208 H ALA 32 H ALA 32 -2.073 -6.030 4.942 209 HA ALA 32 HA ALA 32 -2.945 -3.296 4.792 210 1HB ALA 32 1HB ALA 32 -4.065 -5.256 3.780 211 2HB ALA 32 2HB ALA 32 -4.498 -5.850 5.399 212 3HB ALA 32 3HB ALA 32 -5.157 -4.302 4.825 213 H GLN 33 H GLN 33 -2.773 -5.644 7.493 214 HA GLN 33 HA GLN 33 -4.071 -3.980 9.441 215 2HB GLN 33 2HB GLN 33 -2.095 -5.697 10.665 216 2HG GLN 33 2HG GLN 33 -4.647 -5.062 11.265 217 1HE2 GLN 33 2HE2 GLN 33 -5.302 -8.174 11.839 218 2HE2 GLN 33 1HE2 GLN 33 -6.368 -8.540 10.487 219 H LEU 34 H LEU 34 -0.622 -4.344 8.513 220 HA LEU 34 HA LEU 34 0.454 -2.563 10.480 221 2HB LEU 34 2HB LEU 34 2.168 -2.236 8.494 222 HG LEU 34 HG LEU 34 1.763 -4.612 10.247 223 1HD1 LEU 34 1HD1 LEU 34 2.496 -5.647 8.131 224 2HD1 LEU 34 2HD1 LEU 34 3.862 -4.530 8.036 225 3HD1 LEU 34 3HD1 LEU 34 3.781 -5.711 9.351 226 1HD2 LEU 34 1HD2 LEU 34 4.219 -2.886 9.818 227 2HD2 LEU 34 2HD2 LEU 34 2.930 -2.478 10.972 228 3HD2 LEU 34 3HD2 LEU 34 3.872 -3.971 11.174 229 H TYR 35 H TYR 35 -1.006 -1.824 7.289 230 HA TYR 35 HA TYR 35 -0.601 1.056 7.617 231 2HB TYR 35 2HB TYR 35 -2.430 -0.516 5.789 232 HD1 TYR 35 1HD TYR 35 -0.440 2.601 5.216 233 HD2 TYR 35 2HD TYR 35 -4.377 0.897 5.723 234 HE1 TYR 35 1HE TYR 35 -1.464 4.661 4.259 235 HE2 TYR 35 2HE TYR 35 -5.389 2.987 4.838 236 HH TYR 35 HH TYR 35 -5.003 5.060 3.914 237 H GLU 36 H GLU 36 -3.521 -1.081 8.051 238 HA GLU 36 HA GLU 36 -5.242 0.931 8.992 239 2HB GLU 36 2HB GLU 36 -5.075 -2.047 9.490 240 2HG GLU 36 2HG GLU 36 -7.259 -0.139 10.367 241 H ASP 37 H ASP 37 -2.695 -0.701 10.815 242 HA ASP 37 HA ASP 37 -3.343 -0.015 13.458 243 2HB ASP 37 2HB ASP 37 -0.641 -0.211 12.081 244 H PHE 38 H PHE 38 -1.263 1.951 11.237 245 HA PHE 38 HA PHE 38 -2.315 4.451 12.179 246 2HB PHE 38 2HB PHE 38 0.490 4.629 13.035 247 HD1 PHE 38 1HD PHE 38 -1.019 6.919 12.785 248 HD2 PHE 38 2HD PHE 38 -1.515 3.885 15.820 249 HE1 PHE 38 1HE PHE 38 -2.273 8.528 14.186 250 HE2 PHE 38 2HE PHE 38 -2.755 5.513 17.230 251 HZ PHE 38 HZ PHE 38 -3.165 7.828 16.405 252 H LEU 39 H LEU 39 -1.589 3.133 9.654 253 HA LEU 39 HA LEU 39 -0.590 3.358 7.693 254 2HB LEU 39 2HB LEU 39 -0.602 5.390 6.607 255 HG LEU 39 HG LEU 39 -2.618 6.280 6.724 256 1HD1 LEU 39 1HD1 LEU 39 -3.003 3.779 7.191 257 2HD1 LEU 39 2HD1 LEU 39 -3.473 4.284 8.819 258 3HD1 LEU 39 3HD1 LEU 39 -4.350 4.908 7.410 259 1HD2 LEU 39 1HD2 LEU 39 -2.678 6.312 9.760 260 2HD2 LEU 39 2HD2 LEU 39 -2.123 7.634 8.732 261 3HD2 LEU 39 3HD2 LEU 39 -3.805 7.094 8.644 262 H PHE 40 H PHE 40 1.261 2.172 8.244 263 HA PHE 40 HA PHE 40 3.614 3.370 9.366 264 2HB PHE 40 2HB PHE 40 2.829 1.078 9.780 265 HD1 PHE 40 1HD PHE 40 1.681 0.956 6.817 266 HD2 PHE 40 2HD PHE 40 5.109 -0.877 8.712 267 HE1 PHE 40 1HE PHE 40 1.604 -0.886 5.186 268 HE2 PHE 40 2HE PHE 40 5.034 -2.701 7.041 269 HZ PHE 40 HZ PHE 40 3.297 -2.702 5.255 270 HA PRO 41 HA PRO 41 5.372 4.427 5.293 271 2HB PRO 41 2HB PRO 41 5.264 6.586 6.129 272 2HG PRO 41 2HG PRO 41 5.898 7.113 8.346 273 2HD PRO 41 2HD PRO 41 4.346 5.466 8.749 274 H ILE 42 H ILE 42 6.263 2.086 5.488 275 HA ILE 42 HA ILE 42 9.092 1.896 6.270 276 HB ILE 42 HB ILE 42 9.042 -0.360 5.855 277 2HG1 ILE 42 2HG1 ILE 42 8.440 -0.919 3.772 278 1HG2 ILE 42 1HG2 ILE 42 7.587 0.424 7.714 279 2HG2 ILE 42 2HG2 ILE 42 6.191 0.264 6.624 280 3HG2 ILE 42 3HG2 ILE 42 7.150 -1.168 7.078 281 1HD1 ILE 42 1HD1 ILE 42 6.837 -2.393 5.085 282 2HD1 ILE 42 2HD1 ILE 42 5.589 -1.151 4.756 283 3HD1 ILE 42 3HD1 ILE 42 6.357 -1.999 3.422 284 H ASP 43 H ASP 43 10.671 0.877 4.696 285 HA ASP 43 HA ASP 43 10.601 2.262 2.048 286 2HB ASP 43 2HB ASP 43 12.880 0.911 3.542 287 H ILE 44 H ILE 44 10.111 1.065 0.295 288 HA ILE 44 HA ILE 44 9.507 -1.728 0.262 289 HB ILE 44 HB ILE 44 10.311 0.155 -1.986 290 2HG1 ILE 44 2HG1 ILE 44 7.957 0.299 -2.514 291 1HG2 ILE 44 1HG2 ILE 44 10.749 -2.054 -2.827 292 2HG2 ILE 44 2HG2 ILE 44 9.237 -2.693 -2.158 293 3HG2 ILE 44 3HG2 ILE 44 9.219 -1.535 -3.509 294 1HD1 ILE 44 1HD1 ILE 44 7.166 -1.936 -1.592 295 2HD1 ILE 44 2HD1 ILE 44 7.298 -1.232 0.036 296 3HD1 ILE 44 3HD1 ILE 44 6.185 -0.532 -1.160 297 H SER 45 H SER 45 12.632 -0.041 -0.247 298 HA SER 45 HA SER 45 14.078 -2.313 -1.211 299 2HB SER 45 2HB SER 45 15.956 -1.001 0.284 300 HG SER 45 HG SER 45 16.227 0.247 -1.673 301 H LEU 46 H LEU 46 13.467 -1.285 2.193 302 HA LEU 46 HA LEU 46 14.837 -3.556 3.348 303 2HB LEU 46 2HB LEU 46 13.844 -1.161 4.304 304 HG LEU 46 HG LEU 46 11.568 -2.267 4.858 305 1HD1 LEU 46 1HD1 LEU 46 12.286 -4.492 5.683 306 2HD1 LEU 46 2HD1 LEU 46 13.355 -3.725 6.871 307 3HD1 LEU 46 3HD1 LEU 46 11.589 -3.576 7.005 308 1HD2 LEU 46 1HD2 LEU 46 13.303 -1.217 7.123 309 2HD2 LEU 46 2HD2 LEU 46 12.434 -0.223 5.939 310 3HD2 LEU 46 3HD2 LEU 46 11.529 -1.229 7.075 311 H VAL 47 H VAL 47 11.385 -2.931 2.539 312 HA VAL 47 HA VAL 47 10.481 -5.419 3.572 313 HB VAL 47 HB VAL 47 9.295 -3.184 2.269 314 1HG1 VAL 47 1HG1 VAL 47 9.162 -4.474 0.148 315 2HG1 VAL 47 2HG1 VAL 47 8.255 -5.754 1.010 316 3HG1 VAL 47 3HG1 VAL 47 7.597 -4.125 0.832 317 1HG2 VAL 47 1HG2 VAL 47 8.127 -5.654 3.601 318 2HG2 VAL 47 2HG2 VAL 47 8.647 -4.150 4.396 319 3HG2 VAL 47 3HG2 VAL 47 7.264 -4.142 3.297 320 H LYS 48 H LYS 48 11.643 -4.668 0.315 321 HA LYS 48 HA LYS 48 11.267 -7.267 -0.846 322 2HB LYS 48 2HB LYS 48 13.141 -4.936 -1.372 323 2HG LYS 48 2HG LYS 48 12.665 -6.415 -3.789 324 2HD LYS 48 2HD LYS 48 15.169 -6.576 -3.816 325 2HE LYS 48 2HE LYS 48 13.877 -3.904 -3.095 326 1HZ LYS 48 1HZ LYS 48 16.286 -3.735 -2.845 327 2HZ LYS 48 2HZ LYS 48 16.540 -4.391 -4.322 328 3HZ LYS 48 3HZ LYS 48 15.819 -2.933 -4.183 329 H ARG 49 H ARG 49 13.999 -5.856 0.975 330 HA ARG 49 HA ARG 49 15.703 -8.199 0.810 331 2HB ARG 49 2HB ARG 49 16.881 -7.043 2.774 332 2HG ARG 49 2HG ARG 49 16.357 -5.776 0.078 333 2HD ARG 49 2HD ARG 49 16.695 -3.898 1.732 334 HE ARG 49 HE ARG 49 19.040 -5.344 2.503 335 1HH1 ARG 49 1HH2 ARG 49 18.066 -2.061 1.715 336 2HH1 ARG 49 2HH2 ARG 49 19.340 -1.354 2.667 337 1HH2 ARG 49 1HH1 ARG 49 20.667 -4.350 3.686 338 2HH2 ARG 49 2HH1 ARG 49 20.765 -2.613 3.737 339 H GLU 50 H GLU 50 13.074 -7.379 3.051 340 HA GLU 50 HA GLU 50 13.547 -9.778 4.695 341 2HB GLU 50 2HB GLU 50 11.273 -9.210 5.618 342 2HG GLU 50 2HG GLU 50 13.136 -6.819 5.762 343 H HIS 51 H HIS 51 11.218 -8.923 2.111 344 HA HIS 51 HA HIS 51 10.205 -11.721 2.046 345 1HB HIS 51 2HB HIS 51 8.964 -9.076 1.272 346 2HB HIS 51 3HB HIS 51 8.408 -10.569 0.545 347 HD1 HIS 51 1HD HIS 51 6.094 -10.770 1.665 348 HD2 HIS 51 2HD HIS 51 9.319 -10.365 4.338 349 HE1 HIS 51 1HE HIS 51 5.167 -11.253 3.989 350 H ASP 52 H ASP 52 12.713 -11.591 1.104 351 HA ASP 52 HA ASP 52 12.661 -11.444 -1.828 352 2HB ASP 52 2HB ASP 52 14.672 -10.864 -0.330 353 H PHE 53 H PHE 53 11.484 -13.701 0.314 354 HA PHE 53 HA PHE 53 12.188 -16.214 -0.806 355 2HB PHE 53 2HB PHE 53 10.979 -15.654 1.419 356 HD1 PHE 53 1HD PHE 53 9.414 -13.548 1.041 357 HD2 PHE 53 2HD PHE 53 8.322 -17.566 -0.093 358 HE1 PHE 53 1HE PHE 53 7.030 -12.880 0.937 359 HE2 PHE 53 2HE PHE 53 5.934 -16.890 -0.168 360 HZ PHE 53 HZ PHE 53 5.282 -14.549 0.338 361 H LEU 54 H LEU 54 10.234 -13.763 -2.130 362 HA LEU 54 HA LEU 54 8.906 -15.552 -4.113 363 2HB LEU 54 2HB LEU 54 7.262 -14.553 -2.817 364 HG LEU 54 HG LEU 54 8.486 -12.682 -1.717 365 1HD1 LEU 54 1HD1 LEU 54 9.566 -11.520 -3.594 366 2HD1 LEU 54 2HD1 LEU 54 7.974 -11.167 -4.312 367 3HD1 LEU 54 3HD1 LEU 54 8.440 -10.459 -2.760 368 1HD2 LEU 54 1HD2 LEU 54 5.918 -11.840 -3.092 369 2HD2 LEU 54 2HD2 LEU 54 6.053 -12.926 -1.698 370 3HD2 LEU 54 3HD2 LEU 54 6.561 -11.241 -1.547 371 H ASP 55 H ASP 55 8.513 -14.529 -6.237 372 HA ASP 55 HA ASP 55 10.969 -13.663 -7.463 373 2HB ASP 55 2HB ASP 55 9.515 -13.256 -9.450 374 H ARG 56 H ARG 56 11.588 -11.622 -8.273 375 HA ARG 56 HA ARG 56 10.837 -9.206 -6.964 376 2HB ARG 56 2HB ARG 56 11.854 -8.085 -8.987 377 2HG ARG 56 2HG ARG 56 14.108 -9.130 -8.895 378 2HD ARG 56 2HD ARG 56 13.204 -8.943 -6.022 379 HE ARG 56 HE ARG 56 15.522 -8.674 -6.034 380 1HH1 ARG 56 1HH2 ARG 56 14.240 -6.619 -8.577 381 2HH1 ARG 56 2HH2 ARG 56 15.801 -5.937 -8.936 382 1HH2 ARG 56 1HH1 ARG 56 17.489 -7.753 -6.562 383 2HH2 ARG 56 2HH1 ARG 56 17.575 -6.558 -7.821 384 H ASP 57 H ASP 57 9.332 -10.764 -9.761 385 HA ASP 57 HA ASP 57 7.636 -8.613 -10.562 386 2HB ASP 57 2HB ASP 57 7.041 -11.601 -10.659 387 H ALA 58 H ALA 58 7.195 -11.096 -8.015 388 HA ALA 58 HA ALA 58 4.533 -10.146 -7.260 389 1HB ALA 58 1HB ALA 58 5.134 -12.471 -6.835 390 2HB ALA 58 2HB ALA 58 6.517 -11.967 -5.838 391 3HB ALA 58 3HB ALA 58 4.856 -11.614 -5.304 392 H ILE 59 H ILE 59 7.937 -9.463 -6.208 393 HA ILE 59 HA ILE 59 7.086 -7.698 -4.117 394 HB ILE 59 HB ILE 59 9.601 -8.522 -5.047 395 2HG1 ILE 59 2HG1 ILE 59 10.438 -7.559 -2.993 396 1HG2 ILE 59 1HG2 ILE 59 9.817 -6.485 -6.474 397 2HG2 ILE 59 2HG2 ILE 59 9.581 -5.467 -5.047 398 3HG2 ILE 59 3HG2 ILE 59 10.986 -6.534 -5.170 399 1HD1 ILE 59 1HD1 ILE 59 9.269 -5.370 -2.797 400 2HD1 ILE 59 2HD1 ILE 59 7.720 -6.217 -2.591 401 3HD1 ILE 59 3HD1 ILE 59 8.994 -6.397 -1.382 402 H GLU 60 H GLU 60 7.542 -7.023 -7.634 403 HA GLU 60 HA GLU 60 7.028 -4.204 -7.340 404 2HB GLU 60 2HB GLU 60 6.412 -4.232 -9.722 405 2HG GLU 60 2HG GLU 60 8.850 -5.993 -9.558 406 H ALA 61 H ALA 61 4.792 -6.945 -7.961 407 HA ALA 61 HA ALA 61 2.414 -5.363 -8.129 408 1HB ALA 61 1HB ALA 61 2.744 -7.735 -8.907 409 2HB ALA 61 2HB ALA 61 2.723 -8.257 -7.205 410 3HB ALA 61 3HB ALA 61 1.292 -7.492 -7.936 411 H LEU 62 H LEU 62 3.934 -7.037 -5.340 412 HA LEU 62 HA LEU 62 2.074 -6.227 -3.327 413 2HB LEU 62 2HB LEU 62 5.037 -6.869 -3.132 414 HG LEU 62 HG LEU 62 3.213 -8.113 -1.150 415 1HD1 LEU 62 1HD1 LEU 62 5.627 -8.496 -1.163 416 2HD1 LEU 62 2HD1 LEU 62 5.943 -6.743 -1.028 417 3HD1 LEU 62 3HD1 LEU 62 5.193 -7.611 0.315 418 1HD2 LEU 62 1HD2 LEU 62 3.930 -5.213 -0.747 419 2HD2 LEU 62 2HD2 LEU 62 2.287 -5.845 -0.984 420 3HD2 LEU 62 3HD2 LEU 62 3.207 -6.292 0.443 421 H CYS 63 H CYS 63 5.232 -4.838 -4.305 422 HA CYS 63 HA CYS 63 5.274 -2.493 -2.778 423 2HB CYS 63 2HB CYS 63 6.254 -3.063 -5.600 424 HG CYS 63 HG CYS 63 7.979 -1.105 -5.540 425 H ARG 64 H ARG 64 3.363 -3.048 -5.827 426 HA ARG 64 HA ARG 64 2.562 -0.369 -6.088 427 2HB ARG 64 2HB ARG 64 0.700 -2.717 -6.598 428 2HG ARG 64 2HG ARG 64 1.107 0.057 -7.758 429 2HD ARG 64 2HD ARG 64 -0.212 -2.292 -9.174 430 HE ARG 64 HE ARG 64 -0.553 0.486 -9.559 431 1HH1 ARG 64 1HH2 ARG 64 0.424 -2.225 -11.547 432 2HH1 ARG 64 2HH2 ARG 64 -0.059 -1.440 -13.026 433 1HH2 ARG 64 1HH1 ARG 64 -1.131 1.445 -11.489 434 2HH2 ARG 64 2HH1 ARG 64 -0.918 0.584 -12.985 435 H ARG 65 H ARG 65 1.090 -2.809 -3.919 436 HA ARG 65 HA ARG 65 -0.888 -0.830 -2.875 437 2HB ARG 65 2HB ARG 65 -1.255 -2.852 -1.215 438 2HG ARG 65 2HG ARG 65 -2.919 -2.150 -2.830 439 2HD ARG 65 2HD ARG 65 -1.391 -3.854 -4.836 440 HE ARG 65 HE ARG 65 -4.175 -3.061 -4.827 441 1HH1 ARG 65 1HH2 ARG 65 -1.456 -3.554 -6.967 442 2HH1 ARG 65 2HH2 ARG 65 -2.458 -3.591 -8.395 443 1HH2 ARG 65 1HH1 ARG 65 -5.408 -3.175 -6.689 444 2HH2 ARG 65 2HH1 ARG 65 -4.634 -3.409 -8.226 445 H LEU 66 H LEU 66 2.066 -2.474 -1.705 446 HA LEU 66 HA LEU 66 1.984 -1.163 0.831 447 2HB LEU 66 2HB LEU 66 4.708 -1.698 -0.010 448 HG LEU 66 HG LEU 66 3.970 -1.829 2.322 449 1HD1 LEU 66 1HD1 LEU 66 1.693 -2.749 2.154 450 2HD1 LEU 66 2HD1 LEU 66 2.337 -4.240 1.424 451 3HD1 LEU 66 3HD1 LEU 66 2.732 -3.800 3.104 452 1HD2 LEU 66 1HD2 LEU 66 4.856 -4.509 1.161 453 2HD2 LEU 66 2HD2 LEU 66 5.886 -3.122 1.552 454 3HD2 LEU 66 3HD2 LEU 66 5.031 -3.996 2.841 455 H ASN 67 H ASN 67 3.745 -0.109 -2.153 456 HA ASN 67 HA ASN 67 4.684 2.364 -1.124 457 2HB ASN 67 2HB ASN 67 3.787 1.632 -3.934 458 1HD2 ASN 67 2HD2 ASN 67 3.193 3.539 -4.876 459 2HD2 ASN 67 1HD2 ASN 67 4.224 4.962 -4.858 460 H THR 68 H THR 68 1.464 1.649 -2.694 461 HA THR 68 HA THR 68 0.398 4.267 -2.473 462 HB THR 68 HB THR 68 -0.806 1.500 -2.467 463 HG1 THR 68 1HG THR 68 -1.272 2.082 -4.522 464 1HG2 THR 68 1HG2 THR 68 -2.462 2.834 -1.233 465 2HG2 THR 68 2HG2 THR 68 -2.443 4.064 -2.516 466 3HG2 THR 68 3HG2 THR 68 -3.009 2.401 -2.843 467 H LEU 69 H LEU 69 0.469 1.685 -0.007 468 HA LEU 69 HA LEU 69 -0.893 3.242 2.039 469 2HB LEU 69 2HB LEU 69 0.183 1.212 3.391 470 HG LEU 69 HG LEU 69 -2.134 1.118 3.123 471 1HD1 LEU 69 1HD1 LEU 69 -2.486 2.159 0.967 472 2HD1 LEU 69 2HD1 LEU 69 -2.010 0.639 0.164 473 3HD1 LEU 69 3HD1 LEU 69 -3.440 0.728 1.215 474 1HD2 LEU 69 1HD2 LEU 69 -1.122 -1.262 1.569 475 2HD2 LEU 69 2HD2 LEU 69 -0.991 -1.089 3.331 476 3HD2 LEU 69 3HD2 LEU 69 -2.590 -1.179 2.578 477 H ASN 70 H ASN 70 2.534 2.339 1.611 478 HA ASN 70 HA ASN 70 3.690 3.771 3.743 479 2HB ASN 70 2HB ASN 70 5.789 3.524 2.471 480 1HD2 ASN 70 2HD2 ASN 70 6.116 1.120 0.898 481 2HD2 ASN 70 1HD2 ASN 70 5.707 -0.198 1.994 482 H LYS 71 H LYS 71 2.706 4.874 0.526 483 HA LYS 71 HA LYS 71 3.840 7.537 0.661 484 2HB LYS 71 2HB LYS 71 1.616 6.291 -1.006 485 2HG LYS 71 2HG LYS 71 2.840 9.064 -1.176 486 2HD LYS 71 2HD LYS 71 1.585 9.116 -3.418 487 2HE LYS 71 2HE LYS 71 4.081 7.358 -3.249 488 1HZ LYS 71 1HZ LYS 71 3.099 7.486 -5.494 489 2HZ LYS 71 2HZ LYS 71 3.089 9.117 -5.434 490 3HZ LYS 71 3HZ LYS 71 4.506 8.317 -5.443 491 H CYS 72 H CYS 72 0.356 6.498 1.003 492 HA CYS 72 HA CYS 72 -0.386 8.917 2.357 493 2HB CYS 72 2HB CYS 72 -2.347 7.436 3.170 494 HG CYS 72 HG CYS 72 -3.719 7.803 1.170 495 H ALA 73 H ALA 73 1.455 6.281 3.647 496 HA ALA 73 HA ALA 73 1.023 6.934 6.420 497 1HB ALA 73 1HB ALA 73 1.875 4.761 5.691 498 2HB ALA 73 2HB ALA 73 3.288 5.544 4.960 499 3HB ALA 73 3HB ALA 73 3.084 5.604 6.688 500 H VAL 74 H VAL 74 3.410 8.199 4.017 501 HA VAL 74 HA VAL 74 4.632 9.908 6.105 502 HB VAL 74 HB VAL 74 5.964 10.918 4.322 503 1HG1 VAL 74 1HG1 VAL 74 6.738 8.919 5.580 504 2HG1 VAL 74 2HG1 VAL 74 6.128 7.893 4.246 505 3HG1 VAL 74 3HG1 VAL 74 7.435 9.053 3.953 506 1HG2 VAL 74 1HG2 VAL 74 4.856 8.826 2.425 507 2HG2 VAL 74 2HG2 VAL 74 4.396 10.540 2.383 508 3HG2 VAL 74 3HG2 VAL 74 6.071 10.062 2.090 509 H MET 75 H MET 75 1.919 10.127 4.041 510 HA MET 75 HA MET 75 1.526 12.996 4.758 511 2HB MET 75 2HB MET 75 2.388 13.067 2.538 512 2HG MET 75 2HG MET 75 0.260 11.029 1.800 513 1HE MET 75 1HE MET 75 -1.220 11.641 -0.117 514 2HE MET 75 2HE MET 75 -0.907 13.305 0.430 515 3HE MET 75 3HE MET 75 -0.824 12.905 -1.301 516 H LYS 76 H LYS 76 0.493 11.141 6.285 517 HA LYS 76 HA LYS 76 -2.014 10.062 5.823 518 2HB LYS 76 2HB LYS 76 -0.554 9.605 7.757 519 2HG LYS 76 2HG LYS 76 -1.817 12.039 9.063 520 2HD LYS 76 2HD LYS 76 0.601 10.360 9.850 521 2HE LYS 76 2HE LYS 76 0.461 12.797 10.612 522 1HZ LYS 76 1HZ LYS 76 -1.952 12.790 11.157 523 2HZ LYS 76 2HZ LYS 76 -1.693 11.710 12.357 524 3HZ LYS 76 3HZ LYS 76 -1.052 13.204 12.450 Start of MODEL 3 1 1H MET 1 H MET 1 -18.040 19.115 -8.967 2 HA MET 1 HA MET 1 -15.343 20.011 -8.845 3 2HB MET 1 2HB MET 1 -14.845 18.489 -7.111 4 2HG MET 1 2HG MET 1 -15.101 15.879 -8.252 5 1HE MET 1 1HE MET 1 -18.452 16.052 -6.618 6 2HE MET 1 2HE MET 1 -17.520 14.561 -6.912 7 3HE MET 1 3HE MET 1 -17.939 15.044 -5.254 8 H CYS 2 H CYS 2 -14.279 19.813 -10.721 9 HA CYS 2 HA CYS 2 -15.419 18.124 -12.910 10 2HB CYS 2 2HB CYS 2 -14.991 21.164 -13.071 11 HG CYS 2 HG CYS 2 -15.983 21.209 -15.433 12 H ARG 3 H ARG 3 -12.853 20.562 -12.231 13 HA ARG 3 HA ARG 3 -10.755 19.158 -13.687 14 2HB ARG 3 2HB ARG 3 -9.612 20.913 -11.736 15 2HG ARG 3 2HG ARG 3 -10.358 21.293 -14.666 16 2HD ARG 3 2HD ARG 3 -8.983 23.179 -12.721 17 HE ARG 3 HE ARG 3 -7.752 22.721 -15.041 18 1HH1 ARG 3 1HH2 ARG 3 -9.924 25.389 -14.356 19 2HH1 ARG 3 2HH2 ARG 3 -9.015 26.487 -15.363 20 1HH2 ARG 3 1HH1 ARG 3 -6.636 24.183 -16.263 21 2HH2 ARG 3 2HH1 ARG 3 -7.210 25.817 -16.403 22 H LYS 4 H LYS 4 -8.751 18.497 -12.535 23 HA LYS 4 HA LYS 4 -7.688 16.779 -11.486 24 2HB LYS 4 2HB LYS 4 -8.413 16.493 -8.906 25 2HG LYS 4 2HG LYS 4 -7.266 18.890 -8.555 26 2HD LYS 4 2HD LYS 4 -5.028 17.694 -9.489 27 2HE LYS 4 2HE LYS 4 -6.688 17.000 -7.031 28 1HZ LYS 4 1HZ LYS 4 -5.132 15.159 -7.394 29 2HZ LYS 4 2HZ LYS 4 -3.880 16.176 -7.637 30 3HZ LYS 4 3HZ LYS 4 -4.570 16.068 -6.167 31 H LYS 5 H LYS 5 -7.923 14.655 -10.232 32 HA LYS 5 HA LYS 5 -9.651 12.915 -11.731 33 2HB LYS 5 2HB LYS 5 -8.968 11.222 -9.904 34 2HG LYS 5 2HG LYS 5 -6.479 11.323 -10.290 35 2HD LYS 5 2HD LYS 5 -8.205 10.068 -11.832 36 2HE LYS 5 2HE LYS 5 -7.213 12.339 -13.612 37 1HZ LYS 5 1HZ LYS 5 -6.888 10.181 -14.700 38 2HZ LYS 5 2HZ LYS 5 -8.439 9.755 -14.445 39 3HZ LYS 5 3HZ LYS 5 -8.086 10.985 -15.448 40 HA PRO 6 HA PRO 6 -13.402 13.256 -9.394 41 2HB PRO 6 2HB PRO 6 -14.447 12.165 -11.074 42 2HG PRO 6 2HG PRO 6 -13.425 10.385 -12.272 43 2HD PRO 6 2HD PRO 6 -11.813 12.091 -12.327 44 H ASP 7 H ASP 7 -13.737 13.194 -7.293 45 HA ASP 7 HA ASP 7 -13.573 12.812 -5.107 46 2HB ASP 7 2HB ASP 7 -14.309 10.532 -4.369 47 H THR 8 H THR 8 -10.952 13.068 -6.191 48 HA THR 8 HA THR 8 -9.161 11.102 -5.333 49 HB THR 8 HB THR 8 -8.628 13.048 -6.701 50 HG1 THR 8 1HG THR 8 -6.521 13.128 -5.948 51 1HG2 THR 8 1HG2 THR 8 -9.541 14.870 -5.203 52 2HG2 THR 8 2HG2 THR 8 -8.206 14.568 -4.077 53 3HG2 THR 8 3HG2 THR 8 -7.867 15.135 -5.720 54 H MET 9 H MET 9 -10.566 13.601 -3.150 55 HA MET 9 HA MET 9 -8.842 13.108 -0.918 56 2HB MET 9 2HB MET 9 -10.757 14.023 0.448 57 2HG MET 9 2HG MET 9 -9.324 15.386 -1.674 58 1HE MET 9 1HE MET 9 -11.727 17.606 0.372 59 2HE MET 9 2HE MET 9 -10.396 18.380 -0.518 60 3HE MET 9 3HE MET 9 -12.081 18.740 -0.947 61 H ILE 10 H ILE 10 -11.662 11.363 -2.083 62 HA ILE 10 HA ILE 10 -11.768 9.574 0.274 63 HB ILE 10 HB ILE 10 -13.392 9.743 -2.286 64 2HG1 ILE 10 2HG1 ILE 10 -13.609 11.432 -0.184 65 1HG2 ILE 10 1HG2 ILE 10 -13.392 7.412 -1.689 66 2HG2 ILE 10 2HG2 ILE 10 -13.599 7.760 0.042 67 3HG2 ILE 10 3HG2 ILE 10 -14.915 8.060 -1.108 68 1HD1 ILE 10 1HD1 ILE 10 -15.159 11.466 -2.072 69 2HD1 ILE 10 2HD1 ILE 10 -16.036 10.068 -1.414 70 3HD1 ILE 10 3HD1 ILE 10 -16.024 11.606 -0.535 71 H LEU 11 H LEU 11 -10.643 9.478 -3.196 72 HA LEU 11 HA LEU 11 -9.960 6.799 -3.420 73 2HB LEU 11 2HB LEU 11 -8.023 8.879 -4.388 74 HG LEU 11 HG LEU 11 -9.624 6.820 -5.982 75 1HD1 LEU 11 1HD1 LEU 11 -8.704 8.758 -7.241 76 2HD1 LEU 11 2HD1 LEU 11 -7.069 8.331 -6.681 77 3HD1 LEU 11 3HD1 LEU 11 -7.975 7.226 -7.738 78 1HD2 LEU 11 1HD2 LEU 11 -6.798 6.495 -4.891 79 2HD2 LEU 11 2HD2 LEU 11 -8.242 5.500 -4.572 80 3HD2 LEU 11 3HD2 LEU 11 -7.513 5.474 -6.159 81 H THR 12 H THR 12 -7.975 9.301 -1.751 82 HA THR 12 HA THR 12 -5.842 7.572 -0.915 83 HB THR 12 HB THR 12 -6.997 10.137 0.131 84 HG1 THR 12 1HG THR 12 -4.902 10.803 -0.565 85 1HG2 THR 12 1HG2 THR 12 -6.153 9.168 2.196 86 2HG2 THR 12 2HG2 THR 12 -4.664 8.602 1.401 87 3HG2 THR 12 3HG2 THR 12 -4.967 10.339 1.618 88 H GLN 13 H GLN 13 -9.075 8.017 0.609 89 HA GLN 13 HA GLN 13 -8.394 6.227 2.849 90 2HB GLN 13 2HB GLN 13 -11.014 6.314 3.068 91 2HG GLN 13 2HG GLN 13 -9.463 8.875 3.569 92 1HE2 GLN 13 2HE2 GLN 13 -11.383 10.173 3.917 93 2HE2 GLN 13 1HE2 GLN 13 -12.585 9.717 5.115 94 H ILE 14 H ILE 14 -10.191 5.923 -0.295 95 HA ILE 14 HA ILE 14 -10.910 3.219 0.290 96 HB ILE 14 HB ILE 14 -11.712 2.823 -1.784 97 2HG1 ILE 14 2HG1 ILE 14 -9.673 2.856 -3.107 98 1HG2 ILE 14 1HG2 ILE 14 -12.636 5.001 -0.792 99 2HG2 ILE 14 2HG2 ILE 14 -11.701 5.789 -2.093 100 3HG2 ILE 14 3HG2 ILE 14 -12.997 4.646 -2.479 101 1HD1 ILE 14 1HD1 ILE 14 -11.808 2.983 -4.313 102 2HD1 ILE 14 2HD1 ILE 14 -11.571 4.753 -4.486 103 3HD1 ILE 14 3HD1 ILE 14 -10.403 3.624 -5.198 104 H GLU 15 H GLU 15 -7.969 4.540 -1.304 105 HA GLU 15 HA GLU 15 -6.762 2.009 -1.780 106 2HB GLU 15 2HB GLU 15 -4.628 3.397 -1.646 107 2HG GLU 15 2HG GLU 15 -5.310 4.792 -3.656 108 H ALA 16 H ALA 16 -7.030 3.733 1.330 109 HA ALA 16 HA ALA 16 -5.158 2.000 2.732 110 1HB ALA 16 1HB ALA 16 -5.793 4.219 3.584 111 2HB ALA 16 2HB ALA 16 -7.478 3.686 3.772 112 3HB ALA 16 3HB ALA 16 -6.203 2.933 4.732 113 H LYS 17 H LYS 17 -8.773 1.922 2.395 114 HA LYS 17 HA LYS 17 -8.879 -0.593 3.941 115 2HB LYS 17 2HB LYS 17 -10.461 1.273 4.217 116 2HG LYS 17 2HG LYS 17 -12.151 0.154 2.013 117 2HD LYS 17 2HD LYS 17 -11.726 2.989 2.984 118 2HE LYS 17 2HE LYS 17 -12.908 2.273 0.649 119 1HZ LYS 17 1HZ LYS 17 -14.651 0.929 1.834 120 2HZ LYS 17 2HZ LYS 17 -15.145 2.283 2.621 121 3HZ LYS 17 3HZ LYS 17 -15.303 2.167 0.996 122 H GLU 18 H GLU 18 -9.131 0.293 0.596 123 HA GLU 18 HA GLU 18 -9.558 -2.392 -0.428 124 2HB GLU 18 2HB GLU 18 -8.501 -1.359 -2.599 125 2HG GLU 18 2HG GLU 18 -10.708 -1.377 -3.067 126 H ALA 19 H ALA 19 -6.655 -0.672 0.732 127 HA ALA 19 HA ALA 19 -4.884 -2.762 -0.298 128 1HB ALA 19 1HB ALA 19 -3.923 -0.634 0.555 129 2HB ALA 19 2HB ALA 19 -4.545 -1.062 2.179 130 3HB ALA 19 3HB ALA 19 -3.311 -2.064 1.384 131 H CYS 20 H CYS 20 -6.910 -2.436 2.719 132 HA CYS 20 HA CYS 20 -6.077 -4.972 3.758 133 2HB CYS 20 2HB CYS 20 -8.786 -3.671 4.134 134 HG CYS 20 HG CYS 20 -8.588 -4.765 6.617 135 H ASP 21 H ASP 21 -8.926 -4.285 1.659 136 HA ASP 21 HA ASP 21 -9.579 -7.051 1.231 137 2HB ASP 21 2HB ASP 21 -10.476 -5.996 -1.009 138 H TRP 22 H TRP 22 -7.365 -4.959 -0.725 139 HA TRP 22 HA TRP 22 -6.843 -6.941 -2.715 140 2HB TRP 22 2HB TRP 22 -5.156 -4.546 -1.897 141 HD1 TRP 22 HD TRP 22 -6.219 -5.099 -5.465 142 HE1 TRP 22 1HE TRP 22 -4.219 -5.768 -6.923 143 HE3 TRP 22 3HE TRP 22 -2.651 -5.827 -1.825 144 HZ2 TRP 22 2HZ TRP 22 -1.516 -6.674 -6.602 145 HZ3 TRP 22 3HZ TRP 22 -0.384 -6.647 -2.424 146 HH2 TRP 22 HH TRP 22 0.165 -7.103 -4.801 147 H LEU 23 H LEU 23 -4.863 -5.952 0.146 148 HA LEU 23 HA LEU 23 -2.741 -7.827 -0.352 149 2HB LEU 23 2HB LEU 23 -2.209 -7.447 2.079 150 HG LEU 23 HG LEU 23 -2.660 -5.014 0.289 151 1HD1 LEU 23 1HD1 LEU 23 -2.866 -4.247 2.648 152 2HD1 LEU 23 2HD1 LEU 23 -1.342 -5.079 3.007 153 3HD1 LEU 23 3HD1 LEU 23 -1.362 -3.692 1.894 154 1HD2 LEU 23 1HD2 LEU 23 -0.041 -6.225 1.273 155 2HD2 LEU 23 2HD2 LEU 23 -0.880 -6.599 -0.248 156 3HD2 LEU 23 3HD2 LEU 23 -0.321 -4.954 0.079 157 H ARG 24 H ARG 24 -5.710 -8.082 1.602 158 HA ARG 24 HA ARG 24 -5.391 -10.765 2.512 159 2HB ARG 24 2HB ARG 24 -7.898 -9.145 1.888 160 2HG ARG 24 2HG ARG 24 -8.206 -10.673 4.223 161 2HD ARG 24 2HD ARG 24 -9.861 -9.957 2.165 162 HE ARG 24 HE ARG 24 -9.775 -11.650 0.597 163 1HH1 ARG 24 1HH2 ARG 24 -9.821 -13.142 3.760 164 2HH1 ARG 24 2HH2 ARG 24 -10.148 -14.730 3.113 165 1HH2 ARG 24 1HH1 ARG 24 -10.201 -13.713 -0.162 166 2HH2 ARG 24 2HH1 ARG 24 -10.347 -15.031 0.966 167 H ALA 25 H ALA 25 -7.089 -9.590 -0.458 168 HA ALA 25 HA ALA 25 -7.737 -12.216 -1.381 169 1HB ALA 25 1HB ALA 25 -8.991 -10.210 -2.007 170 2HB ALA 25 2HB ALA 25 -7.573 -9.567 -2.868 171 3HB ALA 25 3HB ALA 25 -8.388 -11.031 -3.457 172 H THR 26 H THR 26 -4.920 -10.134 -2.004 173 HA THR 26 HA THR 26 -3.716 -11.682 -4.089 174 HB THR 26 HB THR 26 -2.651 -9.578 -2.157 175 HG1 THR 26 1HG THR 26 -2.766 -8.360 -3.996 176 1HG2 THR 26 1HG2 THR 26 -0.733 -11.002 -2.878 177 2HG2 THR 26 2HG2 THR 26 -1.222 -10.737 -4.574 178 3HG2 THR 26 3HG2 THR 26 -0.699 -9.368 -3.549 179 H GLY 27 H GLY 27 -3.142 -11.629 -0.536 180 1HA GLY 27 2HA GLY 27 -2.817 -14.208 0.110 181 2HA GLY 27 3HA GLY 27 -1.313 -13.967 -0.801 182 H PHE 28 H PHE 28 -2.280 -11.232 1.088 183 HA PHE 28 HA PHE 28 -0.307 -11.918 3.203 184 2HB PHE 28 2HB PHE 28 0.883 -9.904 2.834 185 HD1 PHE 28 2HD PHE 28 2.392 -11.905 2.377 186 HD2 PHE 28 1HD PHE 28 0.094 -9.910 -0.688 187 HE1 PHE 28 2HE PHE 28 3.876 -12.875 0.631 188 HE2 PHE 28 1HE PHE 28 1.601 -10.847 -2.431 189 HZ PHE 28 HZ PHE 28 3.457 -12.365 -1.772 190 HA PRO 29 HA PRO 29 -4.027 -9.555 4.840 191 2HB PRO 29 2HB PRO 29 -5.323 -11.364 5.259 192 2HG PRO 29 2HG PRO 29 -4.373 -13.538 5.570 193 2HD PRO 29 2HD PRO 29 -3.427 -12.742 3.551 194 H GLN 30 H GLN 30 -1.092 -10.791 6.289 195 HA GLN 30 HA GLN 30 -1.013 -9.277 8.713 196 2HB GLN 30 2HB GLN 30 1.112 -10.394 6.868 197 2HG GLN 30 2HG GLN 30 2.213 -8.729 8.355 198 1HE2 GLN 30 2HE2 GLN 30 0.822 -7.596 9.901 199 2HE2 GLN 30 1HE2 GLN 30 0.768 -8.164 11.567 200 H TYR 31 H TYR 31 -0.139 -8.269 5.333 201 HA TYR 31 HA TYR 31 1.356 -5.913 6.227 202 2HB TYR 31 2HB TYR 31 0.914 -5.216 3.826 203 HD1 TYR 31 1HD TYR 31 3.313 -5.799 5.414 204 HD2 TYR 31 2HD TYR 31 1.518 -7.885 2.095 205 HE1 TYR 31 1HE TYR 31 5.529 -6.734 4.804 206 HE2 TYR 31 2HE TYR 31 3.698 -8.955 1.576 207 HH TYR 31 HH TYR 31 5.995 -8.997 2.066 208 H ALA 32 H ALA 32 -2.028 -6.472 5.326 209 HA ALA 32 HA ALA 32 -2.953 -3.738 5.581 210 1HB ALA 32 1HB ALA 32 -4.163 -5.568 4.509 211 2HB ALA 32 2HB ALA 32 -4.378 -6.381 6.083 212 3HB ALA 32 3HB ALA 32 -5.100 -4.771 5.807 213 H GLN 33 H GLN 33 -2.695 -6.437 7.907 214 HA GLN 33 HA GLN 33 -3.694 -5.049 10.162 215 2HB GLN 33 2HB GLN 33 -1.538 -7.133 10.441 216 2HG GLN 33 2HG GLN 33 -2.994 -6.064 12.362 217 1HE2 GLN 33 2HE2 GLN 33 -5.200 -5.594 12.708 218 2HE2 GLN 33 1HE2 GLN 33 -6.504 -6.714 12.309 219 H LEU 34 H LEU 34 -0.325 -5.259 8.929 220 HA LEU 34 HA LEU 34 1.024 -3.859 11.036 221 2HB LEU 34 2HB LEU 34 2.475 -3.211 8.929 222 HG LEU 34 HG LEU 34 2.173 -5.847 10.352 223 1HD1 LEU 34 1HD1 LEU 34 2.762 -6.524 8.013 224 2HD1 LEU 34 2HD1 LEU 34 4.128 -5.416 8.024 225 3HD1 LEU 34 3HD1 LEU 34 4.114 -6.802 9.121 226 1HD2 LEU 34 1HD2 LEU 34 4.583 -4.049 9.955 227 2HD2 LEU 34 2HD2 LEU 34 3.485 -3.826 11.336 228 3HD2 LEU 34 3HD2 LEU 34 4.455 -5.298 11.205 229 H TYR 35 H TYR 35 -0.723 -2.556 8.181 230 HA TYR 35 HA TYR 35 -0.113 0.226 8.836 231 2HB TYR 35 2HB TYR 35 -2.148 -1.102 7.033 232 HD1 TYR 35 1HD TYR 35 -0.225 2.058 6.591 233 HD2 TYR 35 2HD TYR 35 -4.097 0.284 7.295 234 HE1 TYR 35 1HE TYR 35 -1.321 4.188 5.938 235 HE2 TYR 35 2HE TYR 35 -5.196 2.435 6.707 236 HH TYR 35 HH TYR 35 -4.902 4.593 5.936 237 H GLU 36 H GLU 36 -3.022 -1.895 9.277 238 HA GLU 36 HA GLU 36 -4.573 0.089 10.654 239 2HB GLU 36 2HB GLU 36 -5.841 -1.954 11.480 240 2HG GLU 36 2HG GLU 36 -5.281 -1.791 8.482 241 H ASP 37 H ASP 37 -1.901 -1.811 11.790 242 HA ASP 37 HA ASP 37 -2.305 -1.738 14.599 243 2HB ASP 37 2HB ASP 37 0.475 -1.337 13.541 244 H PHE 38 H PHE 38 -0.372 0.567 12.637 245 HA PHE 38 HA PHE 38 -1.298 2.886 14.031 246 2HB PHE 38 2HB PHE 38 1.527 2.892 14.788 247 HD1 PHE 38 1HD PHE 38 -0.281 5.063 15.051 248 HD2 PHE 38 2HD PHE 38 -0.004 1.541 17.535 249 HE1 PHE 38 1HE PHE 38 -1.433 6.272 16.888 250 HE2 PHE 38 2HE PHE 38 -1.139 2.757 19.382 251 HZ PHE 38 HZ PHE 38 -1.886 5.115 19.045 252 H LEU 39 H LEU 39 -0.848 2.042 11.257 253 HA LEU 39 HA LEU 39 0.029 2.555 9.290 254 2HB LEU 39 2HB LEU 39 -0.033 4.689 8.570 255 HG LEU 39 HG LEU 39 -2.187 4.109 10.225 256 1HD1 LEU 39 1HD1 LEU 39 -1.170 5.448 12.121 257 2HD1 LEU 39 2HD1 LEU 39 -1.105 6.856 11.040 258 3HD1 LEU 39 3HD1 LEU 39 -2.674 6.148 11.508 259 1HD2 LEU 39 1HD2 LEU 39 -1.659 6.656 8.683 260 2HD2 LEU 39 2HD2 LEU 39 -2.319 5.121 8.074 261 3HD2 LEU 39 3HD2 LEU 39 -3.264 6.067 9.227 262 H PHE 40 H PHE 40 1.832 1.238 9.238 263 HA PHE 40 HA PHE 40 4.354 2.080 10.351 264 2HB PHE 40 2HB PHE 40 3.467 -0.213 10.461 265 HD1 PHE 40 1HD PHE 40 2.004 0.168 7.739 266 HD2 PHE 40 2HD PHE 40 5.536 -2.069 8.867 267 HE1 PHE 40 1HE PHE 40 1.628 -1.369 5.852 268 HE2 PHE 40 2HE PHE 40 5.178 -3.575 6.937 269 HZ PHE 40 HZ PHE 40 3.215 -3.231 5.425 270 HA PRO 41 HA PRO 41 5.721 3.681 6.254 271 2HB PRO 41 2HB PRO 41 5.715 5.678 7.341 272 2HG PRO 41 2HG PRO 41 6.605 5.908 9.576 273 2HD PRO 41 2HD PRO 41 5.133 4.214 9.972 274 H ILE 42 H ILE 42 6.565 1.208 6.148 275 HA ILE 42 HA ILE 42 9.437 0.944 6.646 276 HB ILE 42 HB ILE 42 9.301 -1.246 5.914 277 2HG1 ILE 42 2HG1 ILE 42 8.582 -1.407 3.745 278 1HG2 ILE 42 1HG2 ILE 42 7.970 -0.781 7.928 279 2HG2 ILE 42 2HG2 ILE 42 6.513 -0.722 6.909 280 3HG2 ILE 42 3HG2 ILE 42 7.486 -2.219 7.020 281 1HD1 ILE 42 1HD1 ILE 42 7.130 -3.151 4.892 282 2HD1 ILE 42 2HD1 ILE 42 5.827 -1.912 4.906 283 3HD1 ILE 42 3HD1 ILE 42 6.487 -2.493 3.370 284 H ASP 43 H ASP 43 10.897 0.269 4.817 285 HA ASP 43 HA ASP 43 10.629 2.013 2.397 286 2HB ASP 43 2HB ASP 43 12.978 0.442 3.527 287 H ILE 44 H ILE 44 9.986 1.116 0.535 288 HA ILE 44 HA ILE 44 9.366 -1.655 0.115 289 HB ILE 44 HB ILE 44 9.998 0.536 -1.879 290 2HG1 ILE 44 2HG1 ILE 44 7.626 0.737 -2.201 291 1HG2 ILE 44 1HG2 ILE 44 10.330 -1.556 -3.061 292 2HG2 ILE 44 2HG2 ILE 44 8.887 -2.279 -2.341 293 3HG2 ILE 44 3HG2 ILE 44 8.739 -0.948 -3.507 294 1HD1 ILE 44 1HD1 ILE 44 6.841 -1.548 -1.591 295 2HD1 ILE 44 2HD1 ILE 44 7.139 -1.167 0.126 296 3HD1 ILE 44 3HD1 ILE 44 5.948 -0.240 -0.810 297 H SER 45 H SER 45 12.421 0.173 -0.355 298 HA SER 45 HA SER 45 13.836 -1.959 -1.703 299 2HB SER 45 2HB SER 45 15.805 -0.586 -0.455 300 HG SER 45 HG SER 45 15.807 0.575 -2.453 301 H LEU 46 H LEU 46 12.928 -1.703 1.667 302 HA LEU 46 HA LEU 46 14.788 -3.881 2.440 303 2HB LEU 46 2HB LEU 46 13.694 -1.771 3.852 304 HG LEU 46 HG LEU 46 11.516 -3.143 4.304 305 1HD1 LEU 46 1HD1 LEU 46 12.527 -5.448 4.641 306 2HD1 LEU 46 2HD1 LEU 46 13.532 -4.771 5.937 307 3HD1 LEU 46 3HD1 LEU 46 11.768 -4.877 6.119 308 1HD2 LEU 46 1HD2 LEU 46 13.292 -2.372 6.621 309 2HD2 LEU 46 2HD2 LEU 46 12.278 -1.257 5.685 310 3HD2 LEU 46 3HD2 LEU 46 11.518 -2.527 6.653 311 H VAL 47 H VAL 47 11.282 -3.308 1.837 312 HA VAL 47 HA VAL 47 10.502 -5.994 2.419 313 HB VAL 47 HB VAL 47 9.224 -3.573 1.567 314 1HG1 VAL 47 1HG1 VAL 47 8.861 -4.557 -0.650 315 2HG1 VAL 47 2HG1 VAL 47 8.109 -5.998 0.098 316 3HG1 VAL 47 3HG1 VAL 47 7.353 -4.406 0.239 317 1HG2 VAL 47 1HG2 VAL 47 8.164 -6.180 2.696 318 2HG2 VAL 47 2HG2 VAL 47 8.836 -4.813 3.620 319 3HG2 VAL 47 3HG2 VAL 47 7.340 -4.606 2.696 320 H LYS 48 H LYS 48 11.386 -4.581 -0.765 321 HA LYS 48 HA LYS 48 11.067 -7.037 -2.229 322 2HB LYS 48 2HB LYS 48 11.088 -4.853 -3.337 323 2HG LYS 48 2HG LYS 48 13.326 -4.253 -1.764 324 2HD LYS 48 2HD LYS 48 14.716 -5.336 -3.681 325 2HE LYS 48 2HE LYS 48 13.602 -2.774 -4.928 326 1HZ LYS 48 1HZ LYS 48 16.038 -2.707 -4.998 327 2HZ LYS 48 2HZ LYS 48 16.101 -4.172 -5.720 328 3HZ LYS 48 3HZ LYS 48 15.447 -2.893 -6.498 329 H ARG 49 H ARG 49 13.564 -6.110 -0.049 330 HA ARG 49 HA ARG 49 15.398 -8.252 -0.979 331 2HB ARG 49 2HB ARG 49 16.562 -7.555 1.279 332 2HG ARG 49 2HG ARG 49 16.500 -5.623 -1.097 333 2HD ARG 49 2HD ARG 49 17.658 -4.738 0.905 334 HE ARG 49 HE ARG 49 19.083 -7.345 0.836 335 1HH1 ARG 49 1HH2 ARG 49 19.156 -4.117 2.190 336 2HH1 ARG 49 2HH2 ARG 49 20.257 -4.585 3.463 337 1HH2 ARG 49 1HH1 ARG 49 20.478 -7.868 2.470 338 2HH2 ARG 49 2HH1 ARG 49 20.985 -6.649 3.604 339 H GLU 50 H GLU 50 13.196 -7.631 1.794 340 HA GLU 50 HA GLU 50 13.820 -10.202 2.944 341 2HB GLU 50 2HB GLU 50 12.802 -8.048 4.061 342 2HG GLU 50 2HG GLU 50 10.276 -9.744 3.628 343 H HIS 51 H HIS 51 11.412 -9.194 0.583 344 HA HIS 51 HA HIS 51 10.454 -12.010 0.253 345 1HB HIS 51 2HB HIS 51 9.057 -9.324 0.015 346 2HB HIS 51 3HB HIS 51 8.529 -10.642 -0.988 347 HD1 HIS 51 1HD HIS 51 6.219 -10.743 0.161 348 HD2 HIS 51 2HD HIS 51 9.515 -11.652 2.597 349 HE1 HIS 51 1HE HIS 51 5.277 -11.791 2.284 350 H ASP 52 H ASP 52 12.979 -11.160 -0.810 351 HA ASP 52 HA ASP 52 12.866 -10.641 -3.589 352 2HB ASP 52 2HB ASP 52 14.911 -10.642 -2.078 353 H PHE 53 H PHE 53 11.844 -13.461 -1.929 354 HA PHE 53 HA PHE 53 11.902 -15.517 -3.850 355 2HB PHE 53 2HB PHE 53 9.694 -14.769 -1.865 356 HD1 PHE 53 1HD PHE 53 8.123 -16.019 -3.557 357 HD2 PHE 53 2HD PHE 53 11.398 -17.912 -1.473 358 HE1 PHE 53 1HE PHE 53 7.114 -18.238 -3.998 359 HE2 PHE 53 2HE PHE 53 10.370 -20.134 -1.887 360 HZ PHE 53 HZ PHE 53 8.233 -20.302 -3.165 361 H LEU 54 H LEU 54 9.763 -12.679 -3.580 362 HA LEU 54 HA LEU 54 7.941 -13.537 -5.713 363 2HB LEU 54 2HB LEU 54 6.830 -11.430 -5.295 364 HG LEU 54 HG LEU 54 7.699 -12.456 -2.546 365 1HD1 LEU 54 1HD1 LEU 54 6.669 -10.215 -2.566 366 2HD1 LEU 54 2HD1 LEU 54 5.246 -10.879 -3.408 367 3HD1 LEU 54 3HD1 LEU 54 5.663 -11.438 -1.768 368 1HD2 LEU 54 1HD2 LEU 54 5.247 -13.246 -4.191 369 2HD2 LEU 54 2HD2 LEU 54 6.667 -14.268 -3.887 370 3HD2 LEU 54 3HD2 LEU 54 5.645 -13.767 -2.541 371 H ASP 55 H ASP 55 7.887 -12.699 -7.817 372 HA ASP 55 HA ASP 55 10.280 -11.616 -9.046 373 2HB ASP 55 2HB ASP 55 8.539 -11.073 -10.907 374 H ARG 56 H ARG 56 10.501 -9.551 -10.153 375 HA ARG 56 HA ARG 56 9.874 -7.254 -8.556 376 2HB ARG 56 2HB ARG 56 10.592 -5.883 -10.401 377 2HG ARG 56 2HG ARG 56 12.338 -8.350 -10.630 378 2HD ARG 56 2HD ARG 56 12.749 -6.153 -11.945 379 HE ARG 56 HE ARG 56 12.933 -5.098 -9.246 380 1HH1 ARG 56 1HH2 ARG 56 14.514 -4.754 -12.362 381 2HH1 ARG 56 2HH2 ARG 56 15.194 -3.206 -11.935 382 1HH2 ARG 56 1HH1 ARG 56 13.779 -3.096 -8.801 383 2HH2 ARG 56 2HH1 ARG 56 14.818 -2.318 -9.960 384 H ASP 57 H ASP 57 8.012 -8.771 -11.148 385 HA ASP 57 HA ASP 57 6.122 -6.616 -11.488 386 2HB ASP 57 2HB ASP 57 5.408 -9.525 -11.924 387 H ALA 58 H ALA 58 6.116 -9.551 -9.419 388 HA ALA 58 HA ALA 58 3.612 -9.013 -8.074 389 1HB ALA 58 1HB ALA 58 4.583 -11.252 -8.069 390 2HB ALA 58 2HB ALA 58 6.059 -10.641 -7.292 391 3HB ALA 58 3HB ALA 58 4.517 -10.623 -6.411 392 H ILE 59 H ILE 59 7.055 -8.179 -7.333 393 HA ILE 59 HA ILE 59 6.383 -6.797 -4.933 394 HB ILE 59 HB ILE 59 8.792 -7.409 -6.347 395 2HG1 ILE 59 2HG1 ILE 59 9.821 -7.146 -4.216 396 1HG2 ILE 59 1HG2 ILE 59 8.958 -5.099 -7.150 397 2HG2 ILE 59 2HG2 ILE 59 8.764 -4.474 -5.498 398 3HG2 ILE 59 3HG2 ILE 59 10.195 -5.421 -5.933 399 1HD1 ILE 59 1HD1 ILE 59 8.722 -5.082 -3.294 400 2HD1 ILE 59 2HD1 ILE 59 7.208 -5.994 -3.123 401 3HD1 ILE 59 3HD1 ILE 59 8.639 -6.476 -2.198 402 H GLU 60 H GLU 60 6.473 -5.535 -8.315 403 HA GLU 60 HA GLU 60 5.896 -2.799 -7.561 404 2HB GLU 60 2HB GLU 60 4.884 -2.672 -9.853 405 2HG GLU 60 2HG GLU 60 7.476 -3.847 -10.546 406 H ALA 61 H ALA 61 3.699 -5.557 -8.339 407 HA ALA 61 HA ALA 61 1.277 -4.083 -8.049 408 1HB ALA 61 1HB ALA 61 1.515 -6.300 -9.164 409 2HB ALA 61 2HB ALA 61 1.807 -7.042 -7.576 410 3HB ALA 61 3HB ALA 61 0.241 -6.282 -7.934 411 H LEU 62 H LEU 62 3.123 -6.027 -5.667 412 HA LEU 62 HA LEU 62 1.431 -5.539 -3.398 413 2HB LEU 62 2HB LEU 62 4.423 -6.069 -3.304 414 HG LEU 62 HG LEU 62 2.396 -7.747 -1.826 415 1HD1 LEU 62 1HD1 LEU 62 4.807 -8.334 -2.000 416 2HD1 LEU 62 2HD1 LEU 62 5.229 -6.824 -1.161 417 3HD1 LEU 62 3HD1 LEU 62 4.248 -8.060 -0.340 418 1HD2 LEU 62 1HD2 LEU 62 3.349 -5.087 -0.795 419 2HD2 LEU 62 2HD2 LEU 62 1.674 -5.595 -1.106 420 3HD2 LEU 62 3HD2 LEU 62 2.599 -6.386 0.166 421 H CYS 63 H CYS 63 4.482 -3.971 -4.484 422 HA CYS 63 HA CYS 63 4.652 -1.882 -2.595 423 2HB CYS 63 2HB CYS 63 5.380 -1.999 -5.559 424 HG CYS 63 HG CYS 63 7.130 -0.097 -5.360 425 H ARG 64 H ARG 64 2.487 -2.039 -5.495 426 HA ARG 64 HA ARG 64 1.678 0.655 -5.325 427 2HB ARG 64 2HB ARG 64 -0.233 -1.615 -6.029 428 2HG ARG 64 2HG ARG 64 0.072 1.316 -6.669 429 2HD ARG 64 2HD ARG 64 -1.465 -0.517 -8.535 430 HE ARG 64 HE ARG 64 -2.089 1.621 -9.184 431 1HH1 ARG 64 1HH2 ARG 64 1.371 1.707 -8.624 432 2HH1 ARG 64 2HH2 ARG 64 1.512 3.355 -9.178 433 1HH2 ARG 64 1HH1 ARG 64 -1.827 3.717 -9.887 434 2HH2 ARG 64 2HH1 ARG 64 -0.244 4.445 -9.878 435 H ARG 65 H ARG 65 0.527 -2.035 -3.347 436 HA ARG 65 HA ARG 65 -1.335 -0.262 -1.818 437 2HB ARG 65 2HB ARG 65 -1.594 -2.533 -0.488 438 2HG ARG 65 2HG ARG 65 -3.402 -1.576 -1.767 439 2HD ARG 65 2HD ARG 65 -2.134 -2.919 -4.190 440 HE ARG 65 HE ARG 65 -4.904 -2.195 -3.694 441 1HH1 ARG 65 1HH2 ARG 65 -2.516 -2.107 -6.248 442 2HH1 ARG 65 2HH2 ARG 65 -3.722 -1.960 -7.498 443 1HH2 ARG 65 1HH1 ARG 65 -6.399 -2.032 -5.331 444 2HH2 ARG 65 2HH1 ARG 65 -5.869 -1.951 -6.983 445 H LEU 66 H LEU 66 1.714 -2.031 -1.301 446 HA LEU 66 HA LEU 66 1.896 -1.160 1.423 447 2HB LEU 66 2HB LEU 66 4.518 -1.631 0.279 448 HG LEU 66 HG LEU 66 3.953 -2.115 2.590 449 1HD1 LEU 66 1HD1 LEU 66 1.683 -2.939 2.510 450 2HD1 LEU 66 2HD1 LEU 66 2.153 -4.254 1.402 451 3HD1 LEU 66 3HD1 LEU 66 2.735 -4.217 3.088 452 1HD2 LEU 66 1HD2 LEU 66 4.637 -4.662 0.964 453 2HD2 LEU 66 2HD2 LEU 66 5.764 -3.380 1.403 454 3HD2 LEU 66 3HD2 LEU 66 5.010 -4.385 2.655 455 H ASN 67 H ASN 67 3.305 0.344 -1.528 456 HA ASN 67 HA ASN 67 4.485 2.587 -0.172 457 2HB ASN 67 2HB ASN 67 3.329 2.405 -2.969 458 1HD2 ASN 67 2HD2 ASN 67 3.771 4.122 -4.344 459 2HD2 ASN 67 1HD2 ASN 67 4.658 5.547 -3.810 460 H THR 68 H THR 68 1.094 2.041 -1.332 461 HA THR 68 HA THR 68 0.071 4.629 -0.573 462 HB THR 68 HB THR 68 -1.112 1.904 -0.914 463 HG1 THR 68 1HG THR 68 -2.058 2.952 -2.590 464 1HG2 THR 68 1HG2 THR 68 -2.368 3.136 1.005 465 2HG2 THR 68 2HG2 THR 68 -2.860 4.277 -0.262 466 3HG2 THR 68 3HG2 THR 68 -3.234 2.524 -0.368 467 H LEU 69 H LEU 69 0.336 1.599 1.335 468 HA LEU 69 HA LEU 69 -0.573 2.837 3.765 469 2HB LEU 69 2HB LEU 69 0.594 0.622 4.679 470 HG LEU 69 HG LEU 69 -1.674 0.383 4.648 471 1HD1 LEU 69 1HD1 LEU 69 -2.321 1.959 2.967 472 2HD1 LEU 69 2HD1 LEU 69 -2.030 0.722 1.704 473 3HD1 LEU 69 3HD1 LEU 69 -3.267 0.505 2.965 474 1HD2 LEU 69 1HD2 LEU 69 -0.901 -1.454 2.401 475 2HD2 LEU 69 2HD2 LEU 69 -0.553 -1.736 4.128 476 3HD2 LEU 69 3HD2 LEU 69 -2.236 -1.662 3.565 477 H ASN 70 H ASN 70 2.675 2.397 2.495 478 HA ASN 70 HA ASN 70 4.065 3.334 4.832 479 2HB ASN 70 2HB ASN 70 6.060 3.408 3.326 480 1HD2 ASN 70 2HD2 ASN 70 6.167 1.233 1.322 481 2HD2 ASN 70 1HD2 ASN 70 5.925 -0.241 2.264 482 H LYS 71 H LYS 71 3.042 4.933 1.743 483 HA LYS 71 HA LYS 71 4.122 7.504 2.522 484 2HB LYS 71 2HB LYS 71 3.528 6.776 0.131 485 2HG LYS 71 2HG LYS 71 0.843 8.084 0.898 486 2HD LYS 71 2HD LYS 71 1.905 8.579 -1.368 487 2HE LYS 71 2HE LYS 71 0.772 5.797 -1.954 488 1HZ LYS 71 1HZ LYS 71 0.705 7.474 -3.785 489 2HZ LYS 71 2HZ LYS 71 2.323 7.664 -3.695 490 3HZ LYS 71 3HZ LYS 71 1.684 6.227 -4.149 491 H CYS 72 H CYS 72 0.751 6.133 2.796 492 HA CYS 72 HA CYS 72 -0.206 8.350 4.347 493 2HB CYS 72 2HB CYS 72 -1.971 6.646 5.050 494 HG CYS 72 HG CYS 72 -3.137 6.379 2.717 495 H ALA 73 H ALA 73 2.054 5.897 5.322 496 HA ALA 73 HA ALA 73 1.607 6.377 8.182 497 1HB ALA 73 1HB ALA 73 2.206 4.129 7.454 498 2HB ALA 73 2HB ALA 73 3.609 4.748 6.579 499 3HB ALA 73 3HB ALA 73 3.578 4.851 8.332 500 H VAL 74 H VAL 74 3.529 7.885 5.683 501 HA VAL 74 HA VAL 74 5.196 9.278 7.748 502 HB VAL 74 HB VAL 74 5.878 7.930 5.290 503 1HG1 VAL 74 1HG1 VAL 74 5.645 10.064 4.094 504 2HG1 VAL 74 2HG1 VAL 74 6.730 10.848 5.271 505 3HG1 VAL 74 3HG1 VAL 74 7.329 9.565 4.205 506 1HG2 VAL 74 1HG2 VAL 74 7.619 9.523 7.221 507 2HG2 VAL 74 2HG2 VAL 74 7.048 7.870 7.495 508 3HG2 VAL 74 3HG2 VAL 74 8.136 8.207 6.146 509 H MET 75 H MET 75 2.890 9.748 5.184 510 HA MET 75 HA MET 75 3.044 12.679 5.161 511 2HB MET 75 2HB MET 75 1.320 12.436 3.386 512 2HG MET 75 2HG MET 75 2.531 11.122 1.713 513 1HE MET 75 1HE MET 75 5.217 11.484 0.729 514 2HE MET 75 2HE MET 75 3.862 12.422 0.056 515 3HE MET 75 3HE MET 75 5.391 13.230 0.442 516 H LYS 76 H LYS 76 2.150 11.216 7.642 517 HA LYS 76 HA LYS 76 -0.339 12.706 8.222 518 2HB LYS 76 2HB LYS 76 -0.902 10.417 9.613 519 2HG LYS 76 2HG LYS 76 -1.634 10.951 6.677 520 2HD LYS 76 2HD LYS 76 -3.344 9.489 8.747 521 2HE LYS 76 2HE LYS 76 -3.197 9.471 5.692 522 1HZ LYS 76 1HZ LYS 76 -4.278 7.477 6.733 523 2HZ LYS 76 2HZ LYS 76 -5.362 8.443 7.488 524 3HZ LYS 76 3HZ LYS 76 -5.353 8.347 5.865 Start of MODEL 4 1 1H MET 1 H MET 1 -2.223 12.497 -12.999 2 HA MET 1 HA MET 1 -4.294 10.563 -13.047 3 2HB MET 1 2HB MET 1 -2.669 8.822 -13.315 4 2HG MET 1 2HG MET 1 -1.312 9.873 -10.804 5 1HE MET 1 1HE MET 1 -0.999 7.033 -13.660 6 2HE MET 1 2HE MET 1 0.610 7.749 -13.404 7 3HE MET 1 3HE MET 1 0.293 6.075 -12.912 8 H CYS 2 H CYS 2 -5.474 10.478 -11.150 9 HA CYS 2 HA CYS 2 -6.490 11.474 -9.390 10 2HB CYS 2 2HB CYS 2 -3.811 11.113 -8.025 11 HG CYS 2 HG CYS 2 -5.108 10.434 -5.867 12 H ARG 3 H ARG 3 -6.727 13.495 -10.577 13 HA ARG 3 HA ARG 3 -5.360 15.785 -9.196 14 2HB ARG 3 2HB ARG 3 -5.978 16.060 -12.110 15 2HG ARG 3 2HG ARG 3 -3.246 16.572 -11.053 16 2HD ARG 3 2HD ARG 3 -4.714 18.926 -11.962 17 HE ARG 3 HE ARG 3 -2.158 17.825 -12.449 18 1HH1 ARG 3 1HH2 ARG 3 -4.587 19.548 -14.286 19 2HH1 ARG 3 2HH2 ARG 3 -3.429 20.137 -15.451 20 1HH2 ARG 3 1HH1 ARG 3 -0.729 18.600 -13.975 21 2HH2 ARG 3 2HH1 ARG 3 -1.306 19.616 -15.269 22 H LYS 4 H LYS 4 -8.134 15.025 -11.311 23 HA LYS 4 HA LYS 4 -9.776 17.075 -9.876 24 2HB LYS 4 2HB LYS 4 -8.873 18.024 -11.975 25 2HG LYS 4 2HG LYS 4 -9.613 15.523 -13.179 26 2HD LYS 4 2HD LYS 4 -10.969 17.852 -14.592 27 2HE LYS 4 2HE LYS 4 -11.116 14.809 -14.839 28 1HZ LYS 4 1HZ LYS 4 -13.203 15.925 -15.456 29 2HZ LYS 4 2HZ LYS 4 -12.416 16.880 -16.525 30 3HZ LYS 4 3HZ LYS 4 -12.490 15.267 -16.765 31 H LYS 5 H LYS 5 -9.682 14.202 -9.545 32 HA LYS 5 HA LYS 5 -11.808 12.802 -10.802 33 2HB LYS 5 2HB LYS 5 -11.701 11.516 -8.455 34 2HG LYS 5 2HG LYS 5 -9.332 11.521 -10.378 35 2HD LYS 5 2HD LYS 5 -10.426 9.625 -8.282 36 2HE LYS 5 2HE LYS 5 -10.301 8.478 -10.579 37 1HZ LYS 5 1HZ LYS 5 -8.067 9.263 -11.210 38 2HZ LYS 5 2HZ LYS 5 -7.407 8.513 -9.896 39 3HZ LYS 5 3HZ LYS 5 -8.096 7.640 -11.084 40 HA PRO 6 HA PRO 6 -15.491 14.429 -8.972 41 2HB PRO 6 2HB PRO 6 -16.622 13.235 -10.589 42 2HG PRO 6 2HG PRO 6 -15.985 11.035 -11.193 43 2HD PRO 6 2HD PRO 6 -13.975 12.210 -11.392 44 H ASP 7 H ASP 7 -13.936 11.664 -7.548 45 HA ASP 7 HA ASP 7 -14.724 12.536 -4.856 46 2HB ASP 7 2HB ASP 7 -14.734 9.715 -4.661 47 H THR 8 H THR 8 -12.765 13.156 -4.233 48 HA THR 8 HA THR 8 -10.492 11.200 -4.394 49 HB THR 8 HB THR 8 -10.144 13.146 -5.847 50 HG1 THR 8 1HG THR 8 -8.063 13.535 -5.041 51 1HG2 THR 8 1HG2 THR 8 -11.231 14.932 -4.473 52 2HG2 THR 8 2HG2 THR 8 -9.923 14.785 -3.275 53 3HG2 THR 8 3HG2 THR 8 -9.566 15.319 -4.926 54 H MET 9 H MET 9 -12.144 13.581 -2.340 55 HA MET 9 HA MET 9 -10.648 13.241 0.049 56 2HB MET 9 2HB MET 9 -12.922 13.779 1.139 57 2HG MET 9 2HG MET 9 -13.071 16.060 0.210 58 1HE MET 9 1HE MET 9 -10.827 17.994 -0.048 59 2HE MET 9 2HE MET 9 -11.916 18.001 1.360 60 3HE MET 9 3HE MET 9 -10.159 18.108 1.597 61 H ILE 10 H ILE 10 -13.083 11.149 -1.432 62 HA ILE 10 HA ILE 10 -12.939 9.240 0.854 63 HB ILE 10 HB ILE 10 -14.684 9.333 -1.622 64 2HG1 ILE 10 2HG1 ILE 10 -15.017 10.928 0.516 65 1HG2 ILE 10 1HG2 ILE 10 -14.400 6.993 -1.097 66 2HG2 ILE 10 2HG2 ILE 10 -14.593 7.288 0.646 67 3HG2 ILE 10 3HG2 ILE 10 -15.971 7.456 -0.461 68 1HD1 ILE 10 1HD1 ILE 10 -16.639 10.812 -1.277 69 2HD1 ILE 10 2HD1 ILE 10 -17.316 9.300 -0.630 70 3HD1 ILE 10 3HD1 ILE 10 -17.445 10.807 0.303 71 H LEU 11 H LEU 11 -11.679 9.573 -2.479 72 HA LEU 11 HA LEU 11 -10.933 6.903 -2.924 73 2HB LEU 11 2HB LEU 11 -9.327 9.380 -3.663 74 HG LEU 11 HG LEU 11 -8.210 7.148 -4.204 75 1HD1 LEU 11 1HD1 LEU 11 -10.202 5.814 -4.756 76 2HD1 LEU 11 2HD1 LEU 11 -10.605 6.901 -6.097 77 3HD1 LEU 11 3HD1 LEU 11 -9.131 5.905 -6.152 78 1HD2 LEU 11 1HD2 LEU 11 -9.125 8.933 -6.470 79 2HD2 LEU 11 2HD2 LEU 11 -7.703 9.185 -5.441 80 3HD2 LEU 11 3HD2 LEU 11 -7.744 7.807 -6.549 81 H THR 12 H THR 12 -9.168 9.385 -1.011 82 HA THR 12 HA THR 12 -6.947 7.773 -0.234 83 HB THR 12 HB THR 12 -8.360 10.144 0.958 84 HG1 THR 12 1HG THR 12 -6.300 11.038 0.430 85 1HG2 THR 12 1HG2 THR 12 -7.544 9.088 2.959 86 2HG2 THR 12 2HG2 THR 12 -5.971 8.727 2.214 87 3HG2 THR 12 3HG2 THR 12 -6.450 10.408 2.555 88 H GLN 13 H GLN 13 -10.246 7.857 1.145 89 HA GLN 13 HA GLN 13 -9.559 5.983 3.302 90 2HB GLN 13 2HB GLN 13 -12.280 5.956 3.202 91 2HG GLN 13 2HG GLN 13 -10.999 6.574 5.170 92 1HE2 GLN 13 2HE2 GLN 13 -8.972 7.489 5.596 93 2HE2 GLN 13 1HE2 GLN 13 -8.559 9.142 5.180 94 H ILE 14 H ILE 14 -11.163 5.714 0.055 95 HA ILE 14 HA ILE 14 -11.603 2.902 0.444 96 HB ILE 14 HB ILE 14 -12.314 2.582 -1.593 97 2HG1 ILE 14 2HG1 ILE 14 -10.303 2.970 -2.877 98 1HG2 ILE 14 1HG2 ILE 14 -13.517 4.525 -0.483 99 2HG2 ILE 14 2HG2 ILE 14 -12.708 5.546 -1.713 100 3HG2 ILE 14 3HG2 ILE 14 -13.830 4.266 -2.202 101 1HD1 ILE 14 1HD1 ILE 14 -12.506 2.827 -4.110 102 2HD1 ILE 14 2HD1 ILE 14 -12.496 4.608 -4.196 103 3HD1 ILE 14 3HD1 ILE 14 -11.203 3.676 -4.966 104 H GLU 15 H GLU 15 -8.784 4.730 -0.804 105 HA GLU 15 HA GLU 15 -7.217 2.496 -1.534 106 2HB GLU 15 2HB GLU 15 -5.314 4.194 -0.839 107 2HG GLU 15 2HG GLU 15 -7.367 4.664 -3.044 108 H ALA 16 H ALA 16 -7.884 3.686 1.754 109 HA ALA 16 HA ALA 16 -5.909 1.985 3.036 110 1HB ALA 16 1HB ALA 16 -6.895 3.932 4.167 111 2HB ALA 16 2HB ALA 16 -8.508 3.199 4.082 112 3HB ALA 16 3HB ALA 16 -7.258 2.438 5.062 113 H LYS 17 H LYS 17 -9.490 1.592 2.520 114 HA LYS 17 HA LYS 17 -9.420 -1.131 3.531 115 2HB LYS 17 2HB LYS 17 -11.414 0.533 3.563 116 2HG LYS 17 2HG LYS 17 -11.892 -0.881 0.895 117 2HD LYS 17 2HD LYS 17 -13.749 1.047 2.316 118 2HE LYS 17 2HE LYS 17 -13.524 -0.278 -0.348 119 1HZ LYS 17 1HZ LYS 17 -15.338 -1.565 0.612 120 2HZ LYS 17 2HZ LYS 17 -16.153 -0.208 1.023 121 3HZ LYS 17 3HZ LYS 17 -15.907 -0.575 -0.551 122 H GLU 18 H GLU 18 -9.235 0.188 0.283 123 HA GLU 18 HA GLU 18 -9.449 -2.338 -1.133 124 2HB GLU 18 2HB GLU 18 -8.157 -1.034 -2.931 125 2HG GLU 18 2HG GLU 18 -10.712 0.446 -2.375 126 H ALA 19 H ALA 19 -6.659 -0.406 0.231 127 HA ALA 19 HA ALA 19 -4.746 -2.359 -0.676 128 1HB ALA 19 1HB ALA 19 -4.080 -0.155 0.217 129 2HB ALA 19 2HB ALA 19 -4.696 -0.651 1.821 130 3HB ALA 19 3HB ALA 19 -3.318 -1.495 1.080 131 H CYS 20 H CYS 20 -6.787 -2.204 2.358 132 HA CYS 20 HA CYS 20 -5.874 -4.710 3.337 133 2HB CYS 20 2HB CYS 20 -8.677 -3.591 3.698 134 HG CYS 20 HG CYS 20 -8.549 -4.638 6.176 135 H ASP 21 H ASP 21 -8.719 -4.206 1.235 136 HA ASP 21 HA ASP 21 -9.304 -6.975 1.008 137 2HB ASP 21 2HB ASP 21 -10.013 -4.863 -1.060 138 H TRP 22 H TRP 22 -7.328 -4.872 -1.114 139 HA TRP 22 HA TRP 22 -6.727 -6.858 -3.120 140 2HB TRP 22 2HB TRP 22 -5.140 -4.400 -2.297 141 HD1 TRP 22 HD TRP 22 -6.157 -4.789 -5.837 142 HE1 TRP 22 1HE TRP 22 -4.157 -5.306 -7.350 143 HE3 TRP 22 3HE TRP 22 -2.607 -5.763 -2.246 144 HZ2 TRP 22 2HZ TRP 22 -1.468 -6.247 -7.057 145 HZ3 TRP 22 3HZ TRP 22 -0.355 -6.537 -2.903 146 HH2 TRP 22 HH TRP 22 0.231 -6.809 -5.299 147 H LEU 23 H LEU 23 -4.814 -5.683 -0.257 148 HA LEU 23 HA LEU 23 -2.635 -7.477 -0.656 149 2HB LEU 23 2HB LEU 23 -2.152 -7.014 1.774 150 HG LEU 23 HG LEU 23 -2.640 -4.648 -0.060 151 1HD1 LEU 23 1HD1 LEU 23 -2.865 -3.830 2.260 152 2HD1 LEU 23 2HD1 LEU 23 -1.343 -4.611 2.685 153 3HD1 LEU 23 3HD1 LEU 23 -1.360 -3.274 1.527 154 1HD2 LEU 23 1HD2 LEU 23 -0.121 -5.971 0.985 155 2HD2 LEU 23 2HD2 LEU 23 -0.780 -6.156 -0.644 156 3HD2 LEU 23 3HD2 LEU 23 -0.188 -4.583 -0.099 157 H ARG 24 H ARG 24 -5.584 -7.847 1.391 158 HA ARG 24 HA ARG 24 -5.118 -10.521 2.279 159 2HB ARG 24 2HB ARG 24 -7.711 -9.083 1.601 160 2HG ARG 24 2HG ARG 24 -7.546 -11.152 3.795 161 2HD ARG 24 2HD ARG 24 -9.835 -11.666 2.524 162 HE ARG 24 HE ARG 24 -9.329 -10.030 4.777 163 1HH1 ARG 24 1HH2 ARG 24 -11.869 -10.398 2.400 164 2HH1 ARG 24 2HH2 ARG 24 -13.137 -10.127 3.563 165 1HH2 ARG 24 1HH1 ARG 24 -11.011 -9.701 6.225 166 2HH2 ARG 24 2HH1 ARG 24 -12.657 -9.732 5.657 167 H ALA 25 H ALA 25 -6.978 -9.471 -0.658 168 HA ALA 25 HA ALA 25 -7.464 -12.141 -1.541 169 1HB ALA 25 1HB ALA 25 -8.838 -10.207 -2.172 170 2HB ALA 25 2HB ALA 25 -7.483 -9.528 -3.109 171 3HB ALA 25 3HB ALA 25 -8.244 -11.050 -3.612 172 H THR 26 H THR 26 -4.744 -9.966 -2.217 173 HA THR 26 HA THR 26 -3.495 -11.558 -4.278 174 HB THR 26 HB THR 26 -2.527 -9.352 -2.433 175 HG1 THR 26 1HG THR 26 -2.715 -8.168 -4.294 176 1HG2 THR 26 1HG2 THR 26 -0.545 -10.685 -3.051 177 2HG2 THR 26 2HG2 THR 26 -0.995 -10.566 -4.770 178 3HG2 THR 26 3HG2 THR 26 -0.544 -9.113 -3.845 179 H GLY 27 H GLY 27 -2.864 -11.283 -0.718 180 1HA GLY 27 2HA GLY 27 -2.466 -13.833 -0.019 181 2HA GLY 27 3HA GLY 27 -0.948 -13.552 -0.875 182 H PHE 28 H PHE 28 -2.128 -10.820 0.941 183 HA PHE 28 HA PHE 28 -0.149 -11.292 3.115 184 2HB PHE 28 2HB PHE 28 0.884 -9.202 2.665 185 HD1 PHE 28 2HD PHE 28 2.587 -11.030 2.378 186 HD2 PHE 28 1HD PHE 28 0.165 -9.554 -0.871 187 HE1 PHE 28 2HE PHE 28 4.128 -12.093 0.746 188 HE2 PHE 28 1HE PHE 28 1.713 -10.613 -2.503 189 HZ PHE 28 HZ PHE 28 3.648 -11.926 -1.698 190 HA PRO 29 HA PRO 29 -4.035 -9.030 4.565 191 2HB PRO 29 2HB PRO 29 -5.320 -10.859 4.949 192 2HG PRO 29 2HG PRO 29 -4.381 -13.000 5.185 193 2HD PRO 29 2HD PRO 29 -3.220 -12.262 3.307 194 H GLN 30 H GLN 30 -1.060 -10.146 6.002 195 HA GLN 30 HA GLN 30 -1.122 -8.631 8.441 196 2HB GLN 30 2HB GLN 30 1.137 -9.770 6.758 197 2HG GLN 30 2HG GLN 30 2.126 -8.121 8.257 198 1HE2 GLN 30 2HE2 GLN 30 0.761 -6.829 9.681 199 2HE2 GLN 30 1HE2 GLN 30 0.479 -7.357 11.342 200 H TYR 31 H TYR 31 0.032 -7.714 5.111 201 HA TYR 31 HA TYR 31 1.388 -5.321 6.006 202 2HB TYR 31 2HB TYR 31 1.005 -4.627 3.572 203 HD1 TYR 31 1HD TYR 31 3.422 -5.427 5.261 204 HD2 TYR 31 2HD TYR 31 1.557 -7.243 1.820 205 HE1 TYR 31 1HE TYR 31 5.570 -6.491 4.639 206 HE2 TYR 31 2HE TYR 31 3.680 -8.351 1.238 207 HH TYR 31 HH TYR 31 5.884 -8.632 1.775 208 H ALA 32 H ALA 32 -1.954 -5.958 5.093 209 HA ALA 32 HA ALA 32 -2.910 -3.251 5.295 210 1HB ALA 32 1HB ALA 32 -4.054 -5.172 4.185 211 2HB ALA 32 2HB ALA 32 -4.352 -5.903 5.770 212 3HB ALA 32 3HB ALA 32 -5.070 -4.325 5.389 213 H GLN 33 H GLN 33 -2.803 -5.963 7.686 214 HA GLN 33 HA GLN 33 -3.872 -4.524 9.901 215 2HB GLN 33 2HB GLN 33 -2.385 -6.239 11.215 216 2HG GLN 33 2HG GLN 33 -3.901 -8.151 9.874 217 1HE2 GLN 33 2HE2 GLN 33 -6.259 -6.060 11.242 218 2HE2 GLN 33 1HE2 GLN 33 -6.131 -6.678 12.881 219 H LEU 34 H LEU 34 -0.471 -4.669 8.752 220 HA LEU 34 HA LEU 34 0.696 -3.202 10.911 221 2HB LEU 34 2HB LEU 34 2.273 -2.555 8.884 222 HG LEU 34 HG LEU 34 2.025 -5.140 10.341 223 1HD1 LEU 34 1HD1 LEU 34 2.572 -5.867 8.031 224 2HD1 LEU 34 2HD1 LEU 34 3.946 -4.767 7.986 225 3HD1 LEU 34 3HD1 LEU 34 3.938 -6.108 9.142 226 1HD2 LEU 34 1HD2 LEU 34 4.450 -3.402 9.907 227 2HD2 LEU 34 2HD2 LEU 34 3.245 -3.080 11.189 228 3HD2 LEU 34 3HD2 LEU 34 4.181 -4.585 11.191 229 H TYR 35 H TYR 35 -0.867 -1.989 7.918 230 HA TYR 35 HA TYR 35 -0.400 0.815 8.606 231 2HB TYR 35 2HB TYR 35 -2.233 -0.557 6.639 232 HD1 TYR 35 1HD TYR 35 -0.323 2.623 6.277 233 HD2 TYR 35 2HD TYR 35 -4.218 0.807 6.733 234 HE1 TYR 35 1HE TYR 35 -1.404 4.736 5.553 235 HE2 TYR 35 2HE TYR 35 -5.286 2.931 6.036 236 HH TYR 35 HH TYR 35 -4.967 5.075 5.268 237 H GLU 36 H GLU 36 -3.276 -1.380 8.780 238 HA GLU 36 HA GLU 36 -5.014 0.540 9.975 239 2HB GLU 36 2HB GLU 36 -6.293 -1.550 10.701 240 2HG GLU 36 2HG GLU 36 -6.384 -2.573 8.291 241 H ASP 37 H ASP 37 -2.359 -1.178 11.412 242 HA ASP 37 HA ASP 37 -3.032 -0.948 14.163 243 2HB ASP 37 2HB ASP 37 -0.196 -0.615 13.143 244 H PHE 38 H PHE 38 -1.075 1.323 12.150 245 HA PHE 38 HA PHE 38 -2.089 3.675 13.394 246 2HB PHE 38 2HB PHE 38 0.745 3.704 14.240 247 HD1 PHE 38 1HD PHE 38 -0.759 6.030 14.257 248 HD2 PHE 38 2HD PHE 38 -1.205 2.703 16.965 249 HE1 PHE 38 1HE PHE 38 -1.968 7.493 15.842 250 HE2 PHE 38 2HE PHE 38 -2.398 4.175 18.566 251 HZ PHE 38 HZ PHE 38 -2.802 6.568 18.002 252 H LEU 39 H LEU 39 -1.433 2.698 10.725 253 HA LEU 39 HA LEU 39 -0.469 3.156 8.786 254 2HB LEU 39 2HB LEU 39 -0.491 5.290 7.969 255 HG LEU 39 HG LEU 39 -2.451 6.262 8.323 256 1HD1 LEU 39 1HD1 LEU 39 -2.888 3.731 8.375 257 2HD1 LEU 39 2HD1 LEU 39 -3.284 3.967 10.076 258 3HD1 LEU 39 3HD1 LEU 39 -4.200 4.818 8.827 259 1HD2 LEU 39 1HD2 LEU 39 -2.408 5.795 11.328 260 2HD2 LEU 39 2HD2 LEU 39 -1.851 7.255 10.504 261 3HD2 LEU 39 3HD2 LEU 39 -3.548 6.766 10.394 262 H PHE 40 H PHE 40 1.368 1.921 8.994 263 HA PHE 40 HA PHE 40 3.791 2.888 10.215 264 2HB PHE 40 2HB PHE 40 2.940 0.596 10.398 265 HD1 PHE 40 1HD PHE 40 1.685 0.777 7.537 266 HD2 PHE 40 2HD PHE 40 5.171 -1.235 9.056 267 HE1 PHE 40 1HE PHE 40 1.497 -0.875 5.730 268 HE2 PHE 40 2HE PHE 40 5.014 -2.876 7.194 269 HZ PHE 40 HZ PHE 40 3.181 -2.708 5.532 270 HA PRO 41 HA PRO 41 5.376 4.333 6.173 271 2HB PRO 41 2HB PRO 41 5.351 6.378 7.212 272 2HG PRO 41 2HG PRO 41 6.084 6.696 9.445 273 2HD PRO 41 2HD PRO 41 4.549 5.025 9.786 274 H ILE 42 H ILE 42 6.216 1.989 6.053 275 HA ILE 42 HA ILE 42 9.071 1.624 6.688 276 HB ILE 42 HB ILE 42 8.944 -0.558 6.027 277 2HG1 ILE 42 2HG1 ILE 42 8.277 -0.880 3.912 278 1HG2 ILE 42 1HG2 ILE 42 7.567 0.044 8.017 279 2HG2 ILE 42 2HG2 ILE 42 6.147 0.028 6.948 280 3HG2 ILE 42 3HG2 ILE 42 7.099 -1.459 7.218 281 1HD1 ILE 42 1HD1 ILE 42 6.676 -2.474 5.102 282 2HD1 ILE 42 2HD1 ILE 42 5.449 -1.190 4.972 283 3HD1 ILE 42 3HD1 ILE 42 6.136 -1.881 3.510 284 H ASP 43 H ASP 43 10.570 0.821 4.946 285 HA ASP 43 HA ASP 43 10.374 2.513 2.490 286 2HB ASP 43 2HB ASP 43 12.768 1.020 3.608 287 H ILE 44 H ILE 44 9.793 1.520 0.627 288 HA ILE 44 HA ILE 44 9.252 -1.291 0.390 289 HB ILE 44 HB ILE 44 9.712 0.833 -1.730 290 2HG1 ILE 44 2HG1 ILE 44 7.330 0.961 -1.942 291 1HG2 ILE 44 1HG2 ILE 44 10.140 -1.261 -2.829 292 2HG2 ILE 44 2HG2 ILE 44 8.778 -2.043 -2.010 293 3HG2 ILE 44 3HG2 ILE 44 8.499 -0.804 -3.252 294 1HD1 ILE 44 1HD1 ILE 44 6.645 -1.397 -1.384 295 2HD1 ILE 44 2HD1 ILE 44 6.984 -1.048 0.324 296 3HD1 ILE 44 3HD1 ILE 44 5.731 -0.146 -0.548 297 H SER 45 H SER 45 12.237 0.555 -0.164 298 HA SER 45 HA SER 45 13.772 -1.463 -1.497 299 2HB SER 45 2HB SER 45 14.378 0.837 0.333 300 HG SER 45 HG SER 45 16.540 0.481 0.132 301 H LEU 46 H LEU 46 12.972 -1.109 1.963 302 HA LEU 46 HA LEU 46 14.497 -3.470 2.805 303 2HB LEU 46 2HB LEU 46 12.894 -1.292 4.079 304 HG LEU 46 HG LEU 46 13.211 -3.984 5.461 305 1HD1 LEU 46 1HD1 LEU 46 14.392 -2.232 6.754 306 2HD1 LEU 46 2HD1 LEU 46 12.950 -1.188 6.674 307 3HD1 LEU 46 3HD1 LEU 46 12.893 -2.735 7.562 308 1HD2 LEU 46 1HD2 LEU 46 10.927 -1.975 5.130 309 2HD2 LEU 46 2HD2 LEU 46 10.916 -3.725 4.788 310 3HD2 LEU 46 3HD2 LEU 46 10.940 -3.168 6.443 311 H VAL 47 H VAL 47 11.054 -2.726 2.098 312 HA VAL 47 HA VAL 47 10.192 -5.321 2.964 313 HB VAL 47 HB VAL 47 8.929 -2.928 2.279 314 1HG1 VAL 47 1HG1 VAL 47 8.604 -3.735 -0.062 315 2HG1 VAL 47 2HG1 VAL 47 7.686 -5.119 0.592 316 3HG1 VAL 47 3HG1 VAL 47 7.121 -3.456 0.842 317 1HG2 VAL 47 1HG2 VAL 47 7.835 -5.623 3.141 318 2HG2 VAL 47 2HG2 VAL 47 8.408 -4.300 4.174 319 3HG2 VAL 47 3HG2 VAL 47 6.945 -4.097 3.208 320 H LYS 48 H LYS 48 11.105 -4.137 -0.221 321 HA LYS 48 HA LYS 48 10.525 -6.421 -1.790 322 2HB LYS 48 2HB LYS 48 12.679 -4.269 -2.014 323 2HG LYS 48 2HG LYS 48 11.683 -5.194 -4.565 324 2HD LYS 48 2HD LYS 48 14.059 -5.683 -5.028 325 2HE LYS 48 2HE LYS 48 13.908 -3.025 -3.547 326 1HZ LYS 48 1HZ LYS 48 15.904 -3.548 -4.886 327 2HZ LYS 48 2HZ LYS 48 14.984 -3.787 -6.216 328 3HZ LYS 48 3HZ LYS 48 15.082 -2.302 -5.551 329 H ARG 49 H ARG 49 13.359 -5.686 0.235 330 HA ARG 49 HA ARG 49 14.907 -8.031 -0.492 331 2HB ARG 49 2HB ARG 49 15.986 -7.473 1.841 332 2HG ARG 49 2HG ARG 49 15.929 -5.792 -0.664 333 2HD ARG 49 2HD ARG 49 16.371 -4.396 1.611 334 HE ARG 49 HE ARG 49 18.425 -5.050 2.466 335 1HH1 ARG 49 1HH2 ARG 49 18.763 -4.980 -1.021 336 2HH1 ARG 49 2HH2 ARG 49 20.504 -5.033 -0.946 337 1HH2 ARG 49 1HH1 ARG 49 20.645 -5.081 2.487 338 2HH2 ARG 49 2HH1 ARG 49 21.532 -5.089 0.988 339 H GLU 50 H GLU 50 12.320 -7.596 1.905 340 HA GLU 50 HA GLU 50 12.531 -10.426 2.760 341 2HB GLU 50 2HB GLU 50 10.258 -9.825 3.836 342 2HG GLU 50 2HG GLU 50 12.755 -8.290 4.665 343 H HIS 51 H HIS 51 11.062 -8.774 0.100 344 HA HIS 51 HA HIS 51 9.084 -10.875 -0.408 345 1HB HIS 51 2HB HIS 51 8.049 -9.231 -1.425 346 2HB HIS 51 3HB HIS 51 9.354 -8.134 -1.095 347 HD1 HIS 51 1HD HIS 51 11.500 -8.621 -3.159 348 HD2 HIS 51 2HD HIS 51 7.420 -9.292 -3.944 349 HE1 HIS 51 1HE HIS 51 11.261 -8.757 -5.705 350 H ASP 52 H ASP 52 12.405 -10.791 -0.937 351 HA ASP 52 HA ASP 52 12.950 -11.353 -3.515 352 2HB ASP 52 2HB ASP 52 14.331 -11.475 -1.082 353 H PHE 53 H PHE 53 11.311 -13.636 -1.556 354 HA PHE 53 HA PHE 53 11.523 -16.096 -2.956 355 2HB PHE 53 2HB PHE 53 9.284 -14.686 -1.444 356 HD1 PHE 53 2HD PHE 53 10.590 -18.196 -1.805 357 HD2 PHE 53 1HD PHE 53 7.169 -15.571 -1.936 358 HE1 PHE 53 2HE PHE 53 9.105 -20.146 -2.192 359 HE2 PHE 53 1HE PHE 53 5.686 -17.517 -2.328 360 HZ PHE 53 HZ PHE 53 6.651 -19.811 -2.465 361 H LEU 54 H LEU 54 9.635 -13.208 -3.652 362 HA LEU 54 HA LEU 54 8.057 -14.362 -5.867 363 2HB LEU 54 2HB LEU 54 6.809 -12.272 -5.659 364 HG LEU 54 HG LEU 54 7.483 -13.363 -2.882 365 1HD1 LEU 54 1HD1 LEU 54 7.061 -11.009 -2.624 366 2HD1 LEU 54 2HD1 LEU 54 5.516 -11.158 -3.508 367 3HD1 LEU 54 3HD1 LEU 54 5.783 -11.973 -1.937 368 1HD2 LEU 54 1HD2 LEU 54 4.911 -13.394 -4.506 369 2HD2 LEU 54 2HD2 LEU 54 6.021 -14.770 -4.326 370 3HD2 LEU 54 3HD2 LEU 54 5.175 -14.125 -2.910 371 H ASP 55 H ASP 55 7.835 -12.172 -7.547 372 HA ASP 55 HA ASP 55 10.612 -11.649 -8.594 373 2HB ASP 55 2HB ASP 55 9.339 -11.102 -10.735 374 H ARG 56 H ARG 56 11.158 -9.533 -9.198 375 HA ARG 56 HA ARG 56 10.219 -7.272 -7.878 376 2HB ARG 56 2HB ARG 56 12.310 -7.287 -9.084 377 2HG ARG 56 2HG ARG 56 11.425 -6.661 -11.779 378 2HD ARG 56 2HD ARG 56 13.311 -8.598 -10.501 379 HE ARG 56 HE ARG 56 11.745 -9.748 -12.396 380 1HH1 ARG 56 1HH2 ARG 56 15.093 -8.751 -12.593 381 2HH1 ARG 56 2HH2 ARG 56 15.505 -10.061 -13.669 382 1HH2 ARG 56 1HH1 ARG 56 12.345 -11.414 -13.697 383 2HH2 ARG 56 2HH1 ARG 56 13.981 -11.522 -14.278 384 H ASP 57 H ASP 57 8.656 -8.680 -10.683 385 HA ASP 57 HA ASP 57 6.948 -6.421 -11.259 386 2HB ASP 57 2HB ASP 57 6.305 -9.318 -11.889 387 H ALA 58 H ALA 58 6.716 -9.201 -9.071 388 HA ALA 58 HA ALA 58 3.983 -8.688 -8.180 389 1HB ALA 58 1HB ALA 58 5.068 -10.950 -8.018 390 2HB ALA 58 2HB ALA 58 6.200 -10.273 -6.818 391 3HB ALA 58 3HB ALA 58 4.473 -10.326 -6.464 392 H ILE 59 H ILE 59 7.346 -7.748 -7.086 393 HA ILE 59 HA ILE 59 6.274 -6.193 -4.920 394 HB ILE 59 HB ILE 59 8.901 -6.603 -5.856 395 2HG1 ILE 59 2HG1 ILE 59 9.499 -5.858 -3.680 396 1HG2 ILE 59 1HG2 ILE 59 8.974 -4.531 -7.112 397 2HG2 ILE 59 2HG2 ILE 59 8.398 -3.607 -5.717 398 3HG2 ILE 59 3HG2 ILE 59 9.971 -4.397 -5.676 399 1HD1 ILE 59 1HD1 ILE 59 8.291 -3.684 -3.464 400 2HD1 ILE 59 2HD1 ILE 59 6.752 -4.563 -3.334 401 3HD1 ILE 59 3HD1 ILE 59 7.992 -4.765 -2.094 402 H GLU 60 H GLU 60 6.853 -5.194 -8.356 403 HA GLU 60 HA GLU 60 6.050 -2.515 -7.918 404 2HB GLU 60 2HB GLU 60 5.402 -2.595 -10.390 405 2HG GLU 60 2HG GLU 60 7.871 -3.639 -10.936 406 H ALA 61 H ALA 61 4.003 -5.370 -8.165 407 HA ALA 61 HA ALA 61 1.489 -3.877 -8.168 408 1HB ALA 61 1HB ALA 61 1.804 -6.131 -9.209 409 2HB ALA 61 2HB ALA 61 2.063 -6.819 -7.590 410 3HB ALA 61 3HB ALA 61 0.504 -6.088 -8.013 411 H LEU 62 H LEU 62 3.282 -5.816 -5.671 412 HA LEU 62 HA LEU 62 1.510 -5.266 -3.496 413 2HB LEU 62 2HB LEU 62 4.421 -6.096 -3.718 414 HG LEU 62 HG LEU 62 4.198 -5.049 -1.520 415 1HD1 LEU 62 1HD1 LEU 62 1.729 -5.356 -1.224 416 2HD1 LEU 62 2HD1 LEU 62 2.006 -7.092 -0.970 417 3HD1 LEU 62 3HD1 LEU 62 2.679 -5.882 0.151 418 1HD2 LEU 62 1HD2 LEU 62 4.234 -8.071 -1.314 419 2HD2 LEU 62 2HD2 LEU 62 5.605 -7.069 -1.843 420 3HD2 LEU 62 3HD2 LEU 62 4.975 -6.887 -0.204 421 H CYS 63 H CYS 63 4.496 -3.650 -4.492 422 HA CYS 63 HA CYS 63 4.614 -1.492 -2.673 423 2HB CYS 63 2HB CYS 63 5.459 -1.685 -5.591 424 HG CYS 63 HG CYS 63 7.338 0.101 -5.211 425 H ARG 64 H ARG 64 2.367 -1.952 -5.502 426 HA ARG 64 HA ARG 64 1.631 0.815 -5.619 427 2HB ARG 64 2HB ARG 64 -0.298 -1.519 -6.006 428 2HG ARG 64 2HG ARG 64 -0.446 1.366 -6.340 429 2HD ARG 64 2HD ARG 64 -1.260 -0.083 -8.852 430 HE ARG 64 HE ARG 64 -1.600 2.523 -8.003 431 1HH1 ARG 64 1HH2 ARG 64 0.185 1.170 -10.681 432 2HH1 ARG 64 2HH2 ARG 64 0.233 2.683 -11.546 433 1HH2 ARG 64 1HH1 ARG 64 -1.483 4.432 -9.121 434 2HH2 ARG 64 2HH1 ARG 64 -0.703 4.486 -10.678 435 H ARG 65 H ARG 65 0.303 -1.832 -3.642 436 HA ARG 65 HA ARG 65 -1.388 -0.006 -2.054 437 2HB ARG 65 2HB ARG 65 -1.826 -2.032 -0.689 438 2HG ARG 65 2HG ARG 65 -3.059 -3.304 -2.239 439 2HD ARG 65 2HD ARG 65 -2.780 -0.630 -3.656 440 HE ARG 65 HE ARG 65 -4.740 -2.757 -3.893 441 1HH1 ARG 65 1HH2 ARG 65 -4.302 0.704 -4.255 442 2HH1 ARG 65 2HH2 ARG 65 -5.708 0.862 -5.271 443 1HH2 ARG 65 1HH1 ARG 65 -6.597 -2.442 -5.081 444 2HH2 ARG 65 2HH1 ARG 65 -6.985 -0.865 -5.690 445 H LEU 66 H LEU 66 1.637 -1.820 -1.304 446 HA LEU 66 HA LEU 66 1.829 -0.622 1.269 447 2HB LEU 66 2HB LEU 66 4.350 -1.155 0.992 448 HG LEU 66 HG LEU 66 2.376 -3.457 0.740 449 1HD1 LEU 66 1HD1 LEU 66 4.813 -3.978 0.356 450 2HD1 LEU 66 2HD1 LEU 66 5.147 -3.314 1.969 451 3HD1 LEU 66 3HD1 LEU 66 4.139 -4.760 1.790 452 1HD2 LEU 66 1HD2 LEU 66 3.346 -1.778 3.097 453 2HD2 LEU 66 2HD2 LEU 66 1.688 -2.283 2.700 454 3HD2 LEU 66 3HD2 LEU 66 2.860 -3.458 3.314 455 H ASN 67 H ASN 67 3.221 0.713 -1.813 456 HA ASN 67 HA ASN 67 4.411 3.003 -0.609 457 2HB ASN 67 2HB ASN 67 3.056 2.735 -3.309 458 1HD2 ASN 67 2HD2 ASN 67 3.521 4.275 -4.888 459 2HD2 ASN 67 1HD2 ASN 67 4.123 5.866 -4.431 460 H THR 68 H THR 68 1.034 2.634 -1.936 461 HA THR 68 HA THR 68 0.019 5.125 -1.108 462 HB THR 68 HB THR 68 -1.207 2.389 -1.475 463 HG1 THR 68 1HG THR 68 -1.927 3.365 -3.324 464 1HG2 THR 68 1HG2 THR 68 -2.723 3.476 0.119 465 2HG2 THR 68 2HG2 THR 68 -2.769 4.931 -0.908 466 3HG2 THR 68 3HG2 THR 68 -3.409 3.372 -1.501 467 H LEU 69 H LEU 69 0.211 2.128 0.856 468 HA LEU 69 HA LEU 69 -0.933 3.343 3.218 469 2HB LEU 69 2HB LEU 69 -0.074 1.274 4.319 470 HG LEU 69 HG LEU 69 -1.332 0.432 1.688 471 1HD1 LEU 69 1HD1 LEU 69 -0.559 -1.325 3.247 472 2HD1 LEU 69 2HD1 LEU 69 -1.657 -0.667 4.470 473 3HD1 LEU 69 3HD1 LEU 69 -2.308 -1.335 2.996 474 1HD2 LEU 69 1HD2 LEU 69 -2.661 1.844 3.974 475 2HD2 LEU 69 2HD2 LEU 69 -2.770 2.187 2.250 476 3HD2 LEU 69 3HD2 LEU 69 -3.546 0.756 2.932 477 H ASN 70 H ASN 70 2.484 2.688 2.364 478 HA ASN 70 HA ASN 70 3.696 3.796 4.674 479 2HB ASN 70 2HB ASN 70 5.740 3.869 3.282 480 1HD2 ASN 70 2HD2 ASN 70 6.074 1.796 1.326 481 2HD2 ASN 70 1HD2 ASN 70 5.794 0.287 2.184 482 H LYS 71 H LYS 71 2.572 5.291 1.696 483 HA LYS 71 HA LYS 71 3.722 7.914 2.086 484 2HB LYS 71 2HB LYS 71 1.527 6.842 0.275 485 2HG LYS 71 2HG LYS 71 2.763 9.571 0.464 486 2HD LYS 71 2HD LYS 71 1.860 9.689 -2.053 487 2HE LYS 71 2HE LYS 71 4.264 8.846 -2.791 488 1HZ LYS 71 1HZ LYS 71 3.767 11.177 -2.525 489 2HZ LYS 71 2HZ LYS 71 3.900 11.110 -0.897 490 3HZ LYS 71 3HZ LYS 71 5.219 10.897 -1.839 491 H CYS 72 H CYS 72 0.305 6.719 2.400 492 HA CYS 72 HA CYS 72 -0.606 8.953 3.932 493 2HB CYS 72 2HB CYS 72 -2.420 7.364 4.630 494 HG CYS 72 HG CYS 72 -3.708 7.226 2.435 495 H ALA 73 H ALA 73 1.509 6.366 4.912 496 HA ALA 73 HA ALA 73 1.174 6.848 7.768 497 1HB ALA 73 1HB ALA 73 1.835 4.648 6.928 498 2HB ALA 73 2HB ALA 73 3.258 5.357 6.167 499 3HB ALA 73 3HB ALA 73 3.126 5.391 7.909 500 H VAL 74 H VAL 74 3.214 8.352 5.293 501 HA VAL 74 HA VAL 74 4.635 9.871 7.442 502 HB VAL 74 HB VAL 74 5.999 10.874 5.697 503 1HG1 VAL 74 1HG1 VAL 74 6.702 8.815 6.886 504 2HG1 VAL 74 2HG1 VAL 74 6.081 7.875 5.493 505 3HG1 VAL 74 3HG1 VAL 74 7.448 9.008 5.292 506 1HG2 VAL 74 1HG2 VAL 74 4.762 8.876 3.743 507 2HG2 VAL 74 2HG2 VAL 74 4.447 10.625 3.745 508 3HG2 VAL 74 3HG2 VAL 74 6.090 9.998 3.437 509 H MET 75 H MET 75 2.096 10.292 5.058 510 HA MET 75 HA MET 75 1.979 13.199 5.724 511 2HB MET 75 2HB MET 75 2.605 12.443 3.390 512 2HG MET 75 2HG MET 75 -0.387 12.148 2.970 513 1HE MET 75 1HE MET 75 -1.127 12.711 0.662 514 2HE MET 75 2HE MET 75 0.077 13.992 0.937 515 3HE MET 75 3HE MET 75 0.028 13.132 -0.618 516 H LYS 76 H LYS 76 0.540 10.820 7.022 517 HA LYS 76 HA LYS 76 -1.374 10.353 8.118 518 2HB LYS 76 2HB LYS 76 -3.263 12.131 8.157 519 2HG LYS 76 2HG LYS 76 -0.537 12.619 9.405 520 2HD LYS 76 2HD LYS 76 -3.129 14.217 9.507 521 2HE LYS 76 2HE LYS 76 -0.875 14.228 11.556 522 1HZ LYS 76 1HZ LYS 76 -1.713 16.459 11.080 523 2HZ LYS 76 2HZ LYS 76 -3.265 15.981 11.267 524 3HZ LYS 76 3HZ LYS 76 -2.255 15.995 12.550 Start of MODEL 5 1 1H MET 1 H MET 1 -6.892 27.883 -9.468 2 HA MET 1 HA MET 1 -8.459 26.735 -11.536 3 2HB MET 1 2HB MET 1 -5.709 25.427 -11.420 4 2HG MET 1 2HG MET 1 -8.319 24.577 -12.424 5 1HE MET 1 1HE MET 1 -8.812 22.952 -14.581 6 2HE MET 1 2HE MET 1 -9.528 24.581 -14.546 7 3HE MET 1 3HE MET 1 -8.812 23.960 -16.047 8 H CYS 2 H CYS 2 -9.906 26.089 -10.114 9 HA CYS 2 HA CYS 2 -9.231 23.907 -8.224 10 2HB CYS 2 2HB CYS 2 -9.075 25.899 -6.865 11 HG CYS 2 HG CYS 2 -11.170 27.517 -6.283 12 H ARG 3 H ARG 3 -10.331 23.608 -10.718 13 HA ARG 3 HA ARG 3 -13.138 23.373 -10.937 14 2HB ARG 3 2HB ARG 3 -11.590 22.953 -12.809 15 2HG ARG 3 2HG ARG 3 -10.893 20.358 -11.341 16 2HD ARG 3 2HD ARG 3 -9.400 20.448 -13.671 17 HE ARG 3 HE ARG 3 -11.117 18.606 -12.563 18 1HH1 ARG 3 1HH2 ARG 3 -10.654 19.629 -15.884 19 2HH1 ARG 3 2HH2 ARG 3 -11.022 18.048 -16.516 20 1HH2 ARG 3 1HH1 ARG 3 -11.495 16.600 -13.433 21 2HH2 ARG 3 2HH1 ARG 3 -11.481 16.383 -15.158 22 H LYS 4 H LYS 4 -14.557 21.527 -10.736 23 HA LYS 4 HA LYS 4 -14.677 20.388 -8.199 24 2HB LYS 4 2HB LYS 4 -16.542 20.526 -9.767 25 2HG LYS 4 2HG LYS 4 -15.311 19.281 -11.759 26 2HD LYS 4 2HD LYS 4 -16.598 16.996 -10.176 27 2HE LYS 4 2HE LYS 4 -16.399 17.462 -13.130 28 1HZ LYS 4 1HZ LYS 4 -14.896 15.608 -12.854 29 2HZ LYS 4 2HZ LYS 4 -15.943 14.803 -11.883 30 3HZ LYS 4 3HZ LYS 4 -16.298 15.040 -13.459 31 H LYS 5 H LYS 5 -13.506 18.997 -7.110 32 HA LYS 5 HA LYS 5 -11.295 17.665 -8.439 33 2HB LYS 5 2HB LYS 5 -12.057 17.359 -5.506 34 2HG LYS 5 2HG LYS 5 -9.522 17.198 -7.159 35 2HD LYS 5 2HD LYS 5 -8.413 17.089 -4.760 36 2HE LYS 5 2HE LYS 5 -8.911 19.747 -6.177 37 1HZ LYS 5 1HZ LYS 5 -7.532 19.890 -4.171 38 2HZ LYS 5 2HZ LYS 5 -6.543 18.702 -4.707 39 3HZ LYS 5 3HZ LYS 5 -6.601 20.128 -5.490 40 HA PRO 6 HA PRO 6 -13.552 13.904 -9.209 41 2HB PRO 6 2HB PRO 6 -12.025 13.348 -10.798 42 2HG PRO 6 2HG PRO 6 -9.796 13.998 -10.617 43 2HD PRO 6 2HD PRO 6 -10.637 16.012 -9.876 44 H ASP 7 H ASP 7 -13.378 11.411 -8.438 45 HA ASP 7 HA ASP 7 -14.036 11.444 -5.664 46 2HB ASP 7 2HB ASP 7 -14.489 9.026 -6.047 47 H THR 8 H THR 8 -11.313 12.214 -5.849 48 HA THR 8 HA THR 8 -9.483 10.057 -5.254 49 HB THR 8 HB THR 8 -8.878 12.104 -6.477 50 HG1 THR 8 1HG THR 8 -6.901 12.331 -5.463 51 1HG2 THR 8 1HG2 THR 8 -10.072 13.811 -5.036 52 2HG2 THR 8 2HG2 THR 8 -8.840 13.534 -3.784 53 3HG2 THR 8 3HG2 THR 8 -8.376 14.185 -5.366 54 H MET 9 H MET 9 -11.209 12.432 -3.233 55 HA MET 9 HA MET 9 -9.940 11.918 -0.730 56 2HB MET 9 2HB MET 9 -12.248 12.640 0.183 57 2HG MET 9 2HG MET 9 -12.098 14.951 -0.844 58 1HE MET 9 1HE MET 9 -8.798 15.867 -1.107 59 2HE MET 9 2HE MET 9 -10.142 16.821 -0.435 60 3HE MET 9 3HE MET 9 -8.693 16.507 0.548 61 H ILE 10 H ILE 10 -12.446 10.133 -2.462 62 HA ILE 10 HA ILE 10 -12.730 8.151 -0.285 63 HB ILE 10 HB ILE 10 -14.023 8.439 -3.009 64 2HG1 ILE 10 2HG1 ILE 10 -14.605 9.869 -0.771 65 1HG2 ILE 10 1HG2 ILE 10 -13.895 6.054 -2.612 66 2HG2 ILE 10 2HG2 ILE 10 -14.381 6.249 -0.911 67 3HG2 ILE 10 3HG2 ILE 10 -15.539 6.559 -2.222 68 1HD1 ILE 10 1HD1 ILE 10 -15.832 10.097 -2.881 69 2HD1 ILE 10 2HD1 ILE 10 -16.739 8.605 -2.534 70 3HD1 ILE 10 3HD1 ILE 10 -16.935 10.032 -1.493 71 H LEU 11 H LEU 11 -11.305 8.248 -3.641 72 HA LEU 11 HA LEU 11 -10.412 5.620 -3.755 73 2HB LEU 11 2HB LEU 11 -8.758 7.991 -4.649 74 HG LEU 11 HG LEU 11 -7.954 5.529 -5.075 75 1HD1 LEU 11 1HD1 LEU 11 -10.183 4.680 -5.868 76 2HD1 LEU 11 2HD1 LEU 11 -10.087 5.780 -7.252 77 3HD1 LEU 11 3HD1 LEU 11 -8.901 4.470 -7.070 78 1HD2 LEU 11 1HD2 LEU 11 -8.316 7.493 -7.381 79 2HD2 LEU 11 2HD2 LEU 11 -6.993 7.501 -6.194 80 3HD2 LEU 11 3HD2 LEU 11 -7.148 6.154 -7.332 81 H THR 12 H THR 12 -8.781 8.307 -2.009 82 HA THR 12 HA THR 12 -6.597 6.782 -0.966 83 HB THR 12 HB THR 12 -7.942 9.370 -0.344 84 HG1 THR 12 1HG THR 12 -5.762 10.003 -0.569 85 1HG2 THR 12 1HG2 THR 12 -7.658 8.658 1.959 86 2HG2 THR 12 2HG2 THR 12 -6.007 8.080 1.620 87 3HG2 THR 12 3HG2 THR 12 -6.391 9.815 1.556 88 H GLN 13 H GLN 13 -9.939 7.095 0.311 89 HA GLN 13 HA GLN 13 -9.305 5.470 2.678 90 2HB GLN 13 2HB GLN 13 -11.835 5.372 2.884 91 2HG GLN 13 2HG GLN 13 -10.772 8.216 2.799 92 1HE2 GLN 13 2HE2 GLN 13 -11.361 8.240 5.765 93 2HE2 GLN 13 1HE2 GLN 13 -13.114 8.302 5.865 94 H ILE 14 H ILE 14 -10.678 4.780 -0.604 95 HA ILE 14 HA ILE 14 -11.189 2.031 0.121 96 HB ILE 14 HB ILE 14 -11.785 1.508 -1.924 97 2HG1 ILE 14 2HG1 ILE 14 -9.715 1.624 -3.098 98 1HG2 ILE 14 1HG2 ILE 14 -12.993 3.661 -1.166 99 2HG2 ILE 14 2HG2 ILE 14 -12.075 4.445 -2.475 100 3HG2 ILE 14 3HG2 ILE 14 -13.192 3.130 -2.840 101 1HD1 ILE 14 1HD1 ILE 14 -11.748 1.501 -4.523 102 2HD1 ILE 14 2HD1 ILE 14 -11.671 3.268 -4.736 103 3HD1 ILE 14 3HD1 ILE 14 -10.345 2.248 -5.314 104 H GLU 15 H GLU 15 -8.300 3.710 -1.154 105 HA GLU 15 HA GLU 15 -6.637 1.425 -1.392 106 2HB GLU 15 2HB GLU 15 -4.805 3.234 -0.869 107 2HG GLU 15 2HG GLU 15 -6.762 3.352 -3.196 108 H ALA 16 H ALA 16 -7.935 2.683 1.579 109 HA ALA 16 HA ALA 16 -5.988 1.229 3.253 110 1HB ALA 16 1HB ALA 16 -7.123 3.262 4.086 111 2HB ALA 16 2HB ALA 16 -8.701 2.466 3.920 112 3HB ALA 16 3HB ALA 16 -7.538 1.838 5.072 113 H LYS 17 H LYS 17 -9.395 0.736 2.152 114 HA LYS 17 HA LYS 17 -9.514 -1.876 3.503 115 2HB LYS 17 2HB LYS 17 -11.439 -0.151 3.272 116 2HG LYS 17 2HG LYS 17 -11.888 -1.807 0.738 117 2HD LYS 17 2HD LYS 17 -13.925 -1.330 2.115 118 2HE LYS 17 2HE LYS 17 -13.436 1.525 1.139 119 1HZ LYS 17 1HZ LYS 17 -15.777 0.809 1.334 120 2HZ LYS 17 2HZ LYS 17 -15.552 0.398 2.900 121 3HZ LYS 17 3HZ LYS 17 -15.431 1.960 2.441 122 H GLU 18 H GLU 18 -9.347 -0.803 0.140 123 HA GLU 18 HA GLU 18 -9.325 -3.453 -1.052 124 2HB GLU 18 2HB GLU 18 -8.327 -2.243 -3.013 125 2HG GLU 18 2HG GLU 18 -10.789 -0.708 -2.244 126 H ALA 19 H ALA 19 -6.895 -1.468 0.550 127 HA ALA 19 HA ALA 19 -4.650 -3.141 -0.321 128 1HB ALA 19 1HB ALA 19 -3.982 -1.151 0.645 129 2HB ALA 19 2HB ALA 19 -5.154 -1.261 1.986 130 3HB ALA 19 3HB ALA 19 -3.767 -2.345 1.945 131 H CYS 20 H CYS 20 -6.836 -3.186 2.618 132 HA CYS 20 HA CYS 20 -5.834 -5.670 3.510 133 2HB CYS 20 2HB CYS 20 -8.674 -4.649 3.921 134 HG CYS 20 HG CYS 20 -8.244 -5.746 6.484 135 H ASP 21 H ASP 21 -8.623 -5.145 1.354 136 HA ASP 21 HA ASP 21 -9.210 -7.865 0.893 137 2HB ASP 21 2HB ASP 21 -9.512 -5.723 -1.232 138 H TRP 22 H TRP 22 -6.956 -5.730 -1.001 139 HA TRP 22 HA TRP 22 -6.188 -7.797 -2.841 140 2HB TRP 22 2HB TRP 22 -4.708 -5.277 -2.046 141 HD1 TRP 22 HD TRP 22 -5.486 -5.811 -5.621 142 HE1 TRP 22 1HE TRP 22 -3.395 -6.380 -6.993 143 HE3 TRP 22 3HE TRP 22 -2.159 -6.624 -1.797 144 HZ2 TRP 22 2HZ TRP 22 -0.764 -7.339 -6.510 145 HZ3 TRP 22 3HZ TRP 22 0.136 -7.443 -2.301 146 HH2 TRP 22 HH TRP 22 0.831 -7.842 -4.648 147 H LEU 23 H LEU 23 -4.428 -6.518 0.067 148 HA LEU 23 HA LEU 23 -2.219 -8.297 -0.132 149 2HB LEU 23 2HB LEU 23 -2.231 -7.966 2.460 150 HG LEU 23 HG LEU 23 -1.202 -5.945 2.567 151 1HD1 LEU 23 1HD1 LEU 23 -0.088 -7.695 1.030 152 2HD1 LEU 23 2HD1 LEU 23 -0.502 -6.592 -0.291 153 3HD1 LEU 23 3HD1 LEU 23 0.532 -6.034 1.023 154 1HD2 LEU 23 1HD2 LEU 23 -2.452 -5.041 -0.021 155 2HD2 LEU 23 2HD2 LEU 23 -2.694 -4.396 1.623 156 3HD2 LEU 23 3HD2 LEU 23 -1.128 -4.213 0.842 157 H ARG 24 H ARG 24 -5.352 -8.738 1.573 158 HA ARG 24 HA ARG 24 -4.820 -11.386 2.538 159 2HB ARG 24 2HB ARG 24 -7.489 -10.092 1.804 160 2HG ARG 24 2HG ARG 24 -6.838 -12.151 3.949 161 2HD ARG 24 2HD ARG 24 -8.748 -10.464 4.341 162 HE ARG 24 HE ARG 24 -9.615 -11.280 1.787 163 1HH1 ARG 24 1HH2 ARG 24 -11.076 -11.090 4.962 164 2HH1 ARG 24 2HH2 ARG 24 -12.694 -11.034 4.318 165 1HH2 ARG 24 1HH1 ARG 24 -11.709 -11.190 1.027 166 2HH2 ARG 24 2HH1 ARG 24 -13.032 -11.084 2.146 167 H ALA 25 H ALA 25 -6.508 -10.344 -0.480 168 HA ALA 25 HA ALA 25 -6.966 -13.006 -1.433 169 1HB ALA 25 1HB ALA 25 -8.261 -11.041 -2.150 170 2HB ALA 25 2HB ALA 25 -6.818 -10.357 -2.936 171 3HB ALA 25 3HB ALA 25 -7.539 -11.863 -3.543 172 H THR 26 H THR 26 -4.204 -10.819 -1.858 173 HA THR 26 HA THR 26 -2.791 -12.369 -3.827 174 HB THR 26 HB THR 26 -1.980 -10.189 -1.876 175 HG1 THR 26 1HG THR 26 -2.002 -9.009 -3.738 176 1HG2 THR 26 1HG2 THR 26 0.070 -11.564 -2.416 177 2HG2 THR 26 2HG2 THR 26 -0.260 -11.285 -4.142 178 3HG2 THR 26 3HG2 THR 26 0.113 -9.928 -3.054 179 H GLY 27 H GLY 27 -2.317 -12.085 -0.242 180 1HA GLY 27 2HA GLY 27 -2.007 -14.639 0.524 181 2HA GLY 27 3HA GLY 27 -0.474 -14.418 -0.317 182 H PHE 28 H PHE 28 -1.708 -11.671 1.515 183 HA PHE 28 HA PHE 28 0.286 -12.171 3.678 184 2HB PHE 28 2HB PHE 28 1.261 -10.003 3.273 185 HD1 PHE 28 2HD PHE 28 3.004 -11.831 3.096 186 HD2 PHE 28 1HD PHE 28 0.729 -10.407 -0.279 187 HE1 PHE 28 2HE PHE 28 4.688 -12.806 1.549 188 HE2 PHE 28 1HE PHE 28 2.424 -11.373 -1.827 189 HZ PHE 28 HZ PHE 28 4.375 -12.604 -0.910 190 HA PRO 29 HA PRO 29 -3.650 -10.047 5.152 191 2HB PRO 29 2HB PRO 29 -4.805 -11.933 5.632 192 2HG PRO 29 2HG PRO 29 -3.716 -13.992 5.877 193 2HD PRO 29 2HD PRO 29 -2.529 -13.268 4.019 194 H GLN 30 H GLN 30 -0.578 -10.827 6.529 195 HA GLN 30 HA GLN 30 -0.696 -9.192 8.898 196 2HB GLN 30 2HB GLN 30 1.587 -10.259 7.195 197 2HG GLN 30 2HG GLN 30 2.520 -8.410 8.518 198 1HE2 GLN 30 2HE2 GLN 30 1.069 -7.145 9.895 199 2HE2 GLN 30 1HE2 GLN 30 0.938 -7.543 11.606 200 H TYR 31 H TYR 31 0.370 -8.401 5.513 201 HA TYR 31 HA TYR 31 1.535 -5.866 6.241 202 2HB TYR 31 2HB TYR 31 1.054 -5.366 3.767 203 HD1 TYR 31 1HD TYR 31 3.553 -5.808 5.446 204 HD2 TYR 31 2HD TYR 31 1.814 -8.065 2.214 205 HE1 TYR 31 1HE TYR 31 5.783 -6.757 4.891 206 HE2 TYR 31 2HE TYR 31 4.002 -9.100 1.743 207 HH TYR 31 HH TYR 31 6.210 -9.128 2.238 208 H ALA 32 H ALA 32 -1.753 -6.760 5.249 209 HA ALA 32 HA ALA 32 -2.900 -4.134 5.283 210 1HB ALA 32 1HB ALA 32 -3.958 -6.157 4.340 211 2HB ALA 32 2HB ALA 32 -4.130 -6.849 5.965 212 3HB ALA 32 3HB ALA 32 -4.998 -5.357 5.549 213 H GLN 33 H GLN 33 -2.538 -6.609 7.882 214 HA GLN 33 HA GLN 33 -3.766 -5.056 9.914 215 2HB GLN 33 2HB GLN 33 -1.668 -7.249 10.211 216 2HG GLN 33 2HG GLN 33 -3.766 -6.087 12.083 217 1HE2 GLN 33 2HE2 GLN 33 -5.121 -7.748 12.774 218 2HE2 GLN 33 1HE2 GLN 33 -4.532 -9.322 13.291 219 H LEU 34 H LEU 34 -0.365 -5.124 8.851 220 HA LEU 34 HA LEU 34 0.746 -3.448 10.905 221 2HB LEU 34 2HB LEU 34 2.271 -2.884 8.789 222 HG LEU 34 HG LEU 34 2.190 -5.330 10.489 223 1HD1 LEU 34 1HD1 LEU 34 2.811 -6.206 8.257 224 2HD1 LEU 34 2HD1 LEU 34 4.105 -5.014 8.136 225 3HD1 LEU 34 3HD1 LEU 34 4.181 -6.270 9.386 226 1HD2 LEU 34 1HD2 LEU 34 4.528 -3.488 9.926 227 2HD2 LEU 34 2HD2 LEU 34 3.289 -3.070 11.127 228 3HD2 LEU 34 3HD2 LEU 34 4.285 -4.525 11.330 229 H TYR 35 H TYR 35 -0.918 -2.576 7.835 230 HA TYR 35 HA TYR 35 -0.592 0.294 8.373 231 2HB TYR 35 2HB TYR 35 -2.227 -1.260 6.355 232 HD1 TYR 35 1HD TYR 35 -0.463 2.019 6.014 233 HD2 TYR 35 2HD TYR 35 -4.281 0.014 6.306 234 HE1 TYR 35 1HE TYR 35 -1.610 4.068 5.190 235 HE2 TYR 35 2HE TYR 35 -5.409 2.083 5.542 236 HH TYR 35 HH TYR 35 -5.166 4.216 4.764 237 H GLU 36 H GLU 36 -3.379 -2.025 8.559 238 HA GLU 36 HA GLU 36 -5.198 -0.070 9.607 239 2HB GLU 36 2HB GLU 36 -6.502 -2.066 10.381 240 2HG GLU 36 2HG GLU 36 -5.677 -2.550 7.514 241 H ASP 37 H ASP 37 -2.584 -1.726 11.241 242 HA ASP 37 HA ASP 37 -3.387 -1.241 13.946 243 2HB ASP 37 2HB ASP 37 -0.707 -0.920 14.087 244 H PHE 38 H PHE 38 -1.299 0.864 11.843 245 HA PHE 38 HA PHE 38 -2.454 3.262 12.953 246 2HB PHE 38 2HB PHE 38 0.391 3.296 13.799 247 HD1 PHE 38 1HD PHE 38 -0.903 5.721 13.650 248 HD2 PHE 38 2HD PHE 38 -1.756 2.611 16.518 249 HE1 PHE 38 1HE PHE 38 -2.074 7.362 15.071 250 HE2 PHE 38 2HE PHE 38 -2.902 4.274 17.962 251 HZ PHE 38 HZ PHE 38 -3.071 6.650 17.237 252 H LEU 39 H LEU 39 -1.769 2.207 10.312 253 HA LEU 39 HA LEU 39 -0.783 2.642 8.369 254 2HB LEU 39 2HB LEU 39 -0.911 4.746 7.498 255 HG LEU 39 HG LEU 39 -2.928 5.629 7.821 256 1HD1 LEU 39 1HD1 LEU 39 -3.238 3.051 7.953 257 2HD1 LEU 39 2HD1 LEU 39 -3.651 3.332 9.643 258 3HD1 LEU 39 3HD1 LEU 39 -4.602 4.101 8.366 259 1HD2 LEU 39 1HD2 LEU 39 -2.828 5.234 10.832 260 2HD2 LEU 39 2HD2 LEU 39 -2.404 6.721 9.963 261 3HD2 LEU 39 3HD2 LEU 39 -4.062 6.104 9.903 262 H PHE 40 H PHE 40 1.100 1.455 8.794 263 HA PHE 40 HA PHE 40 3.459 2.635 9.911 264 2HB PHE 40 2HB PHE 40 2.748 0.260 10.134 265 HD1 PHE 40 1HD PHE 40 1.484 0.342 7.273 266 HD2 PHE 40 2HD PHE 40 5.017 -1.516 8.888 267 HE1 PHE 40 1HE PHE 40 1.410 -1.354 5.485 268 HE2 PHE 40 2HE PHE 40 4.970 -3.179 7.049 269 HZ PHE 40 HZ PHE 40 3.141 -3.122 5.362 270 HA PRO 41 HA PRO 41 5.012 4.003 5.839 271 2HB PRO 41 2HB PRO 41 4.888 6.074 6.735 272 2HG PRO 41 2HG PRO 41 5.463 6.545 8.962 273 2HD PRO 41 2HD PRO 41 4.110 4.753 9.470 274 H ILE 42 H ILE 42 5.948 1.719 5.732 275 HA ILE 42 HA ILE 42 8.802 1.530 6.450 276 HB ILE 42 HB ILE 42 8.777 -0.683 6.027 277 2HG1 ILE 42 2HG1 ILE 42 8.331 -1.175 3.886 278 1HG2 ILE 42 1HG2 ILE 42 7.171 0.005 7.805 279 2HG2 ILE 42 2HG2 ILE 42 5.869 -0.247 6.616 280 3HG2 ILE 42 3HG2 ILE 42 6.913 -1.606 7.128 281 1HD1 ILE 42 1HD1 ILE 42 6.878 -2.845 5.165 282 2HD1 ILE 42 2HD1 ILE 42 5.492 -1.808 4.715 283 3HD1 ILE 42 3HD1 ILE 42 6.484 -2.557 3.465 284 H ASP 43 H ASP 43 10.356 0.734 4.789 285 HA ASP 43 HA ASP 43 10.134 2.291 2.251 286 2HB ASP 43 2HB ASP 43 12.509 0.860 3.512 287 H ILE 44 H ILE 44 9.724 1.208 0.353 288 HA ILE 44 HA ILE 44 9.200 -1.612 0.220 289 HB ILE 44 HB ILE 44 9.888 0.363 -1.976 290 2HG1 ILE 44 2HG1 ILE 44 7.523 0.423 -2.425 291 1HG2 ILE 44 1HG2 ILE 44 10.424 -1.807 -2.860 292 2HG2 ILE 44 2HG2 ILE 44 8.965 -2.539 -2.174 293 3HG2 ILE 44 3HG2 ILE 44 8.850 -1.366 -3.506 294 1HD1 ILE 44 1HD1 ILE 44 6.871 -1.900 -1.601 295 2HD1 ILE 44 2HD1 ILE 44 6.995 -1.268 0.054 296 3HD1 ILE 44 3HD1 ILE 44 5.827 -0.570 -1.089 297 H SER 45 H SER 45 12.206 0.269 -0.318 298 HA SER 45 HA SER 45 13.781 -1.928 -1.264 299 2HB SER 45 2HB SER 45 15.690 -0.516 -0.127 300 HG SER 45 HG SER 45 15.524 0.907 -1.944 301 H LEU 46 H LEU 46 12.654 -1.248 2.023 302 HA LEU 46 HA LEU 46 14.553 -3.076 3.291 303 2HB LEU 46 2HB LEU 46 11.895 -2.007 4.358 304 HG LEU 46 HG LEU 46 14.417 -2.881 5.827 305 1HD1 LEU 46 1HD1 LEU 46 13.443 -0.793 6.737 306 2HD1 LEU 46 2HD1 LEU 46 11.856 -1.586 6.865 307 3HD1 LEU 46 3HD1 LEU 46 13.224 -2.146 7.854 308 1HD2 LEU 46 1HD2 LEU 46 11.554 -3.944 5.921 309 2HD2 LEU 46 2HD2 LEU 46 13.018 -4.829 5.429 310 3HD2 LEU 46 3HD2 LEU 46 12.817 -4.352 7.104 311 H VAL 47 H VAL 47 10.985 -3.299 2.652 312 HA VAL 47 HA VAL 47 10.903 -6.104 3.262 313 HB VAL 47 HB VAL 47 8.717 -6.116 2.035 314 1HG1 VAL 47 1HG1 VAL 47 8.858 -5.713 4.450 315 2HG1 VAL 47 2HG1 VAL 47 9.038 -3.966 4.168 316 3HG1 VAL 47 3HG1 VAL 47 7.539 -4.805 3.704 317 1HG2 VAL 47 1HG2 VAL 47 9.057 -3.105 1.829 318 2HG2 VAL 47 2HG2 VAL 47 9.255 -4.216 0.445 319 3HG2 VAL 47 3HG2 VAL 47 7.723 -4.128 1.270 320 H LYS 48 H LYS 48 11.514 -4.467 0.168 321 HA LYS 48 HA LYS 48 11.485 -6.776 -1.520 322 2HB LYS 48 2HB LYS 48 13.087 -4.189 -1.651 323 2HG LYS 48 2HG LYS 48 12.294 -5.385 -4.210 324 2HD LYS 48 2HD LYS 48 14.766 -5.086 -4.689 325 2HE LYS 48 2HE LYS 48 13.428 -2.590 -3.546 326 1HZ LYS 48 1HZ LYS 48 15.699 -2.272 -4.355 327 2HZ LYS 48 2HZ LYS 48 15.345 -2.977 -5.788 328 3HZ LYS 48 3HZ LYS 48 14.659 -1.555 -5.386 329 H ARG 49 H ARG 49 14.204 -5.283 0.300 330 HA ARG 49 HA ARG 49 16.166 -7.292 -0.388 331 2HB ARG 49 2HB ARG 49 17.254 -6.382 1.821 332 2HG ARG 49 2HG ARG 49 16.646 -4.765 -0.660 333 2HD ARG 49 2HD ARG 49 17.108 -3.317 1.518 334 HE ARG 49 HE ARG 49 19.602 -4.608 1.420 335 1HH1 ARG 49 1HH2 ARG 49 18.492 -1.296 1.209 336 2HH1 ARG 49 2HH2 ARG 49 19.998 -0.639 1.787 337 1HH2 ARG 49 1HH1 ARG 49 21.529 -3.695 2.164 338 2HH2 ARG 49 2HH1 ARG 49 21.660 -1.967 2.317 339 H GLU 50 H GLU 50 13.876 -7.083 2.345 340 HA GLU 50 HA GLU 50 14.785 -9.520 3.600 341 2HB GLU 50 2HB GLU 50 12.514 -9.406 4.751 342 2HG GLU 50 2HG GLU 50 12.865 -7.098 5.777 343 H HIS 51 H HIS 51 12.203 -8.970 1.136 344 HA HIS 51 HA HIS 51 11.522 -11.792 1.064 345 1HB HIS 51 2HB HIS 51 10.644 -9.348 -0.351 346 2HB HIS 51 3HB HIS 51 10.767 -10.726 -1.417 347 HD1 HIS 51 1HD HIS 51 8.114 -9.238 0.368 348 HD2 HIS 51 2HD HIS 51 9.676 -13.134 0.085 349 HE1 HIS 51 1HE HIS 51 6.213 -10.832 0.998 350 H ASP 52 H ASP 52 13.081 -9.847 -1.539 351 HA ASP 52 HA ASP 52 14.136 -10.612 -3.424 352 2HB ASP 52 2HB ASP 52 16.001 -11.522 -1.210 353 H PHE 53 H PHE 53 12.151 -12.444 -2.858 354 HA PHE 53 HA PHE 53 13.272 -15.156 -3.508 355 2HB PHE 53 2HB PHE 53 11.175 -14.302 -1.470 356 HD1 PHE 53 2HD PHE 53 13.165 -17.433 -1.876 357 HD2 PHE 53 1HD PHE 53 9.232 -15.661 -1.905 358 HE1 PHE 53 2HE PHE 53 12.144 -19.692 -2.048 359 HE2 PHE 53 1HE PHE 53 8.217 -17.919 -2.089 360 HZ PHE 53 HZ PHE 53 9.670 -19.936 -2.165 361 H LEU 54 H LEU 54 10.307 -13.167 -3.447 362 HA LEU 54 HA LEU 54 8.860 -14.683 -5.453 363 2HB LEU 54 2HB LEU 54 7.286 -12.908 -5.340 364 HG LEU 54 HG LEU 54 8.414 -13.255 -2.551 365 1HD1 LEU 54 1HD1 LEU 54 7.372 -11.053 -2.708 366 2HD1 LEU 54 2HD1 LEU 54 5.919 -11.762 -3.454 367 3HD1 LEU 54 3HD1 LEU 54 6.363 -12.164 -1.780 368 1HD2 LEU 54 1HD2 LEU 54 5.841 -14.250 -3.853 369 2HD2 LEU 54 2HD2 LEU 54 7.297 -15.239 -3.601 370 3HD2 LEU 54 3HD2 LEU 54 6.412 -14.595 -2.206 371 H ASP 55 H ASP 55 8.145 -13.497 -7.532 372 HA ASP 55 HA ASP 55 10.375 -12.705 -9.169 373 2HB ASP 55 2HB ASP 55 8.572 -12.058 -10.791 374 H ARG 56 H ARG 56 10.806 -10.662 -10.180 375 HA ARG 56 HA ARG 56 10.610 -8.248 -8.674 376 2HB ARG 56 2HB ARG 56 12.202 -8.434 -10.478 377 2HG ARG 56 2HG ARG 56 10.619 -7.926 -12.822 378 2HD ARG 56 2HD ARG 56 12.447 -10.149 -11.912 379 HE ARG 56 HE ARG 56 10.402 -10.578 -13.858 380 1HH1 ARG 56 1HH2 ARG 56 13.857 -11.037 -13.606 381 2HH1 ARG 56 2HH2 ARG 56 13.834 -12.483 -14.581 382 1HH2 ARG 56 1HH1 ARG 56 10.419 -12.456 -15.041 383 2HH2 ARG 56 2HH1 ARG 56 11.925 -13.257 -15.378 384 H ASP 57 H ASP 57 8.325 -9.631 -10.988 385 HA ASP 57 HA ASP 57 6.503 -7.403 -11.010 386 2HB ASP 57 2HB ASP 57 5.074 -9.842 -11.487 387 H ALA 58 H ALA 58 6.840 -10.234 -8.863 388 HA ALA 58 HA ALA 58 4.349 -9.773 -7.446 389 1HB ALA 58 1HB ALA 58 5.546 -11.957 -7.442 390 2HB ALA 58 2HB ALA 58 6.875 -11.179 -6.548 391 3HB ALA 58 3HB ALA 58 5.267 -11.317 -5.808 392 H ILE 59 H ILE 59 7.804 -8.748 -6.894 393 HA ILE 59 HA ILE 59 7.052 -7.189 -4.604 394 HB ILE 59 HB ILE 59 9.513 -7.725 -5.926 395 2HG1 ILE 59 2HG1 ILE 59 10.476 -7.064 -3.805 396 1HG2 ILE 59 1HG2 ILE 59 9.452 -5.522 -7.017 397 2HG2 ILE 59 2HG2 ILE 59 9.199 -4.728 -5.447 398 3HG2 ILE 59 3HG2 ILE 59 10.707 -5.594 -5.785 399 1HD1 ILE 59 1HD1 ILE 59 9.202 -5.011 -3.176 400 2HD1 ILE 59 2HD1 ILE 59 7.740 -5.992 -2.947 401 3HD1 ILE 59 3HD1 ILE 59 9.145 -6.246 -1.912 402 H GLU 60 H GLU 60 7.178 -6.242 -8.095 403 HA GLU 60 HA GLU 60 6.419 -3.515 -7.561 404 2HB GLU 60 2HB GLU 60 5.541 -3.646 -9.976 405 2HG GLU 60 2HG GLU 60 8.331 -4.519 -10.232 406 H ALA 61 H ALA 61 4.376 -6.404 -8.128 407 HA ALA 61 HA ALA 61 1.868 -5.022 -8.050 408 1HB ALA 61 1HB ALA 61 2.250 -7.284 -9.004 409 2HB ALA 61 2HB ALA 61 2.572 -7.916 -7.370 410 3HB ALA 61 3HB ALA 61 0.965 -7.289 -7.795 411 H LEU 62 H LEU 62 3.744 -6.723 -5.484 412 HA LEU 62 HA LEU 62 1.909 -6.125 -3.354 413 2HB LEU 62 2HB LEU 62 4.893 -6.602 -3.127 414 HG LEU 62 HG LEU 62 2.945 -8.154 -1.459 415 1HD1 LEU 62 1HD1 LEU 62 5.321 -8.620 -1.350 416 2HD1 LEU 62 2HD1 LEU 62 5.701 -6.905 -1.033 417 3HD1 LEU 62 3HD1 LEU 62 4.843 -7.850 0.173 418 1HD2 LEU 62 1HD2 LEU 62 3.642 -5.317 -0.733 419 2HD2 LEU 62 2HD2 LEU 62 2.009 -5.960 -1.046 420 3HD2 LEU 62 3HD2 LEU 62 2.925 -6.523 0.356 421 H CYS 63 H CYS 63 4.970 -4.545 -4.381 422 HA CYS 63 HA CYS 63 4.955 -2.298 -2.733 423 2HB CYS 63 2HB CYS 63 5.842 -2.656 -5.614 424 HG CYS 63 HG CYS 63 7.549 -0.621 -5.405 425 H ARG 64 H ARG 64 3.008 -2.746 -5.773 426 HA ARG 64 HA ARG 64 1.992 -0.146 -5.911 427 2HB ARG 64 2HB ARG 64 0.364 -2.681 -6.388 428 2HG ARG 64 2HG ARG 64 -0.147 0.193 -6.755 429 2HD ARG 64 2HD ARG 64 -0.624 -1.608 -9.155 430 HE ARG 64 HE ARG 64 -0.846 1.310 -9.309 431 1HH1 ARG 64 1HH2 ARG 64 -2.743 -1.574 -8.696 432 2HH1 ARG 64 2HH2 ARG 64 -4.252 -0.704 -8.797 433 1HH2 ARG 64 1HH1 ARG 64 -2.788 2.343 -9.418 434 2HH2 ARG 64 2HH1 ARG 64 -4.270 1.458 -9.205 435 H ARG 65 H ARG 65 0.652 -2.759 -3.863 436 HA ARG 65 HA ARG 65 -1.169 -0.862 -2.503 437 2HB ARG 65 2HB ARG 65 -1.554 -2.799 -0.942 438 2HG ARG 65 2HG ARG 65 -2.844 -4.151 -2.388 439 2HD ARG 65 2HD ARG 65 -3.015 -1.420 -3.691 440 HE ARG 65 HE ARG 65 -5.354 -2.860 -2.599 441 1HH1 ARG 65 1HH2 ARG 65 -3.491 -2.439 -5.546 442 2HH1 ARG 65 2HH2 ARG 65 -4.857 -2.853 -6.546 443 1HH2 ARG 65 1HH1 ARG 65 -6.996 -3.341 -3.908 444 2HH2 ARG 65 2HH1 ARG 65 -6.829 -3.254 -5.641 445 H LEU 66 H LEU 66 1.813 -2.626 -1.486 446 HA LEU 66 HA LEU 66 1.837 -1.451 1.083 447 2HB LEU 66 2HB LEU 66 4.526 -1.842 0.095 448 HG LEU 66 HG LEU 66 3.972 -2.157 2.444 449 1HD1 LEU 66 1HD1 LEU 66 1.738 -3.103 2.451 450 2HD1 LEU 66 2HD1 LEU 66 2.276 -4.489 1.476 451 3HD1 LEU 66 3HD1 LEU 66 2.852 -4.269 3.143 452 1HD2 LEU 66 1HD2 LEU 66 4.789 -4.752 1.053 453 2HD2 LEU 66 2HD2 LEU 66 5.824 -3.350 1.369 454 3HD2 LEU 66 3HD2 LEU 66 5.159 -4.302 2.718 455 H ASN 67 H ASN 67 3.348 -0.086 -1.896 456 HA ASN 67 HA ASN 67 4.261 2.343 -0.753 457 2HB ASN 67 2HB ASN 67 3.088 1.766 -3.504 458 1HD2 ASN 67 2HD2 ASN 67 2.068 3.612 -4.085 459 2HD2 ASN 67 1HD2 ASN 67 2.858 5.174 -4.092 460 H THR 68 H THR 68 0.955 1.519 -1.997 461 HA THR 68 HA THR 68 -0.195 4.054 -1.423 462 HB THR 68 HB THR 68 -1.079 1.614 -2.476 463 HG1 THR 68 1HG THR 68 -2.666 2.890 -3.181 464 1HG2 THR 68 1HG2 THR 68 -2.107 0.807 -0.411 465 2HG2 THR 68 2HG2 THR 68 -2.882 2.378 -0.152 466 3HG2 THR 68 3HG2 THR 68 -3.348 1.349 -1.527 467 H LEU 69 H LEU 69 0.193 1.222 0.728 468 HA LEU 69 HA LEU 69 -1.011 2.535 3.012 469 2HB LEU 69 2HB LEU 69 0.256 0.715 4.263 470 HG LEU 69 HG LEU 69 -1.320 -0.766 4.061 471 1HD1 LEU 69 1HD1 LEU 69 -2.661 1.298 3.476 472 2HD1 LEU 69 2HD1 LEU 69 -2.611 0.762 1.800 473 3HD1 LEU 69 3HD1 LEU 69 -3.371 -0.237 3.064 474 1HD2 LEU 69 1HD2 LEU 69 -1.332 -1.092 1.108 475 2HD2 LEU 69 2HD2 LEU 69 -0.041 -1.794 2.120 476 3HD2 LEU 69 3HD2 LEU 69 -1.702 -2.243 2.405 477 H ASN 70 H ASN 70 2.422 1.978 2.195 478 HA ASN 70 HA ASN 70 3.595 3.346 4.341 479 2HB ASN 70 2HB ASN 70 5.621 3.393 2.938 480 1HD2 ASN 70 2HD2 ASN 70 5.965 1.231 1.044 481 2HD2 ASN 70 1HD2 ASN 70 5.720 -0.250 1.961 482 H LYS 71 H LYS 71 2.386 4.587 1.273 483 HA LYS 71 HA LYS 71 3.273 7.329 1.596 484 2HB LYS 71 2HB LYS 71 1.210 6.064 -0.244 485 2HG LYS 71 2HG LYS 71 2.341 8.860 -0.064 486 2HD LYS 71 2HD LYS 71 1.470 9.048 -2.511 487 2HE LYS 71 2HE LYS 71 4.115 7.692 -1.805 488 1HZ LYS 71 1HZ LYS 71 3.787 7.590 -4.185 489 2HZ LYS 71 2HZ LYS 71 3.325 9.157 -4.269 490 3HZ LYS 71 3HZ LYS 71 4.863 8.772 -3.883 491 H CYS 72 H CYS 72 -0.032 5.793 1.902 492 HA CYS 72 HA CYS 72 -1.110 8.091 3.269 493 2HB CYS 72 2HB CYS 72 -2.897 6.426 3.960 494 HG CYS 72 HG CYS 72 -4.141 6.260 1.700 495 H ALA 73 H ALA 73 1.271 6.027 4.414 496 HA ALA 73 HA ALA 73 0.661 6.431 7.275 497 1HB ALA 73 1HB ALA 73 1.433 4.255 6.567 498 2HB ALA 73 2HB ALA 73 2.797 4.965 5.698 499 3HB ALA 73 3HB ALA 73 2.756 5.078 7.441 500 H VAL 74 H VAL 74 2.810 7.801 4.766 501 HA VAL 74 HA VAL 74 4.009 9.608 6.831 502 HB VAL 74 HB VAL 74 5.364 10.542 5.017 503 1HG1 VAL 74 1HG1 VAL 74 6.145 8.578 6.415 504 2HG1 VAL 74 2HG1 VAL 74 5.670 7.529 5.055 505 3HG1 VAL 74 3HG1 VAL 74 6.935 8.747 4.836 506 1HG2 VAL 74 1HG2 VAL 74 4.245 8.332 3.256 507 2HG2 VAL 74 2HG2 VAL 74 3.975 10.073 3.032 508 3HG2 VAL 74 3HG2 VAL 74 5.595 9.395 2.851 509 H MET 75 H MET 75 1.751 9.584 4.158 510 HA MET 75 HA MET 75 1.159 12.448 4.346 511 2HB MET 75 2HB MET 75 -0.248 12.116 2.444 512 2HG MET 75 2HG MET 75 1.981 10.281 1.679 513 1HE MET 75 1HE MET 75 2.027 14.101 1.342 514 2HE MET 75 2HE MET 75 3.445 13.291 0.637 515 3HE MET 75 3HE MET 75 2.337 14.209 -0.407 516 H LYS 76 H LYS 76 0.756 11.443 6.705 517 HA LYS 76 HA LYS 76 -0.592 11.634 8.482 518 2HB LYS 76 2HB LYS 76 -2.733 12.705 6.625 519 2HG LYS 76 2HG LYS 76 -2.103 12.973 9.560 520 2HD LYS 76 2HD LYS 76 -3.087 15.185 7.715 521 2HE LYS 76 2HE LYS 76 -4.647 15.070 9.608 522 1HZ LYS 76 1HZ LYS 76 -3.190 14.087 11.296 523 2HZ LYS 76 2HZ LYS 76 -2.240 15.420 11.321 524 3HZ LYS 76 3HZ LYS 76 -3.785 15.503 11.839 Start of MODEL 6 1 1H MET 1 H MET 1 -12.944 13.817 -11.711 2 HA MET 1 HA MET 1 -12.503 12.504 -14.190 3 2HB MET 1 2HB MET 1 -12.513 14.755 -15.196 4 2HG MET 1 2HG MET 1 -9.944 15.716 -14.544 5 1HE MET 1 1HE MET 1 -9.636 18.280 -14.090 6 2HE MET 1 2HE MET 1 -10.044 17.833 -15.762 7 3HE MET 1 3HE MET 1 -10.801 19.255 -15.016 8 H CYS 2 H CYS 2 -10.037 11.976 -14.516 9 HA CYS 2 HA CYS 2 -8.743 11.152 -12.086 10 2HB CYS 2 2HB CYS 2 -8.362 10.112 -14.299 11 HG CYS 2 HG CYS 2 -6.672 11.132 -16.084 12 H ARG 3 H ARG 3 -6.511 11.900 -11.507 13 HA ARG 3 HA ARG 3 -5.244 13.377 -10.339 14 2HB ARG 3 2HB ARG 3 -5.032 15.777 -11.534 15 2HG ARG 3 2HG ARG 3 -3.526 14.578 -13.324 16 2HD ARG 3 2HD ARG 3 -1.920 13.835 -11.430 17 HE ARG 3 HE ARG 3 -2.513 16.392 -12.352 18 1HH1 ARG 3 1HH2 ARG 3 -1.280 15.155 -9.312 19 2HH1 ARG 3 2HH2 ARG 3 -0.278 16.557 -9.050 20 1HH2 ARG 3 1HH1 ARG 3 -1.189 18.131 -11.965 21 2HH2 ARG 3 2HH1 ARG 3 -0.229 18.187 -10.516 22 H LYS 4 H LYS 4 -7.773 15.574 -11.479 23 HA LYS 4 HA LYS 4 -8.286 16.543 -8.688 24 2HB LYS 4 2HB LYS 4 -9.656 18.302 -10.042 25 2HG LYS 4 2HG LYS 4 -6.971 18.962 -10.851 26 2HD LYS 4 2HD LYS 4 -8.945 19.955 -8.871 27 2HE LYS 4 2HE LYS 4 -6.750 21.309 -7.961 28 1HZ LYS 4 1HZ LYS 4 -8.498 20.421 -6.547 29 2HZ LYS 4 2HZ LYS 4 -7.922 18.896 -6.679 30 3HZ LYS 4 3HZ LYS 4 -7.049 20.040 -5.910 31 H LYS 5 H LYS 5 -9.080 14.272 -8.481 32 HA LYS 5 HA LYS 5 -11.716 13.577 -9.405 33 2HB LYS 5 2HB LYS 5 -11.514 12.248 -7.023 34 2HG LYS 5 2HG LYS 5 -10.145 11.580 -9.649 35 2HD LYS 5 2HD LYS 5 -10.592 9.928 -7.170 36 2HE LYS 5 2HE LYS 5 -10.907 9.017 -10.064 37 1HZ LYS 5 1HZ LYS 5 -9.490 7.434 -8.925 38 2HZ LYS 5 2HZ LYS 5 -10.497 7.354 -7.634 39 3HZ LYS 5 3HZ LYS 5 -10.973 6.775 -9.083 40 HA PRO 6 HA PRO 6 -14.223 16.261 -6.883 41 2HB PRO 6 2HB PRO 6 -15.964 15.736 -8.308 42 2HG PRO 6 2HG PRO 6 -16.233 13.567 -9.181 43 2HD PRO 6 2HD PRO 6 -13.974 13.819 -9.645 44 H ASP 7 H ASP 7 -13.430 13.027 -5.987 45 HA ASP 7 HA ASP 7 -13.979 13.643 -3.136 46 2HB ASP 7 2HB ASP 7 -13.946 10.791 -4.099 47 H THR 8 H THR 8 -12.247 13.663 -1.928 48 HA THR 8 HA THR 8 -9.700 12.323 -2.764 49 HB THR 8 HB THR 8 -9.385 14.503 -3.506 50 HG1 THR 8 1HG THR 8 -7.694 15.169 -2.137 51 1HG2 THR 8 1HG2 THR 8 -11.111 15.770 -2.328 52 2HG2 THR 8 2HG2 THR 8 -10.235 15.590 -0.786 53 3HG2 THR 8 3HG2 THR 8 -9.533 16.522 -2.120 54 H MET 9 H MET 9 -11.487 13.872 -0.086 55 HA MET 9 HA MET 9 -10.074 12.841 2.126 56 2HB MET 9 2HB MET 9 -13.065 13.312 1.777 57 2HG MET 9 2HG MET 9 -11.841 12.295 4.041 58 1HE MET 9 1HE MET 9 -13.850 15.058 5.444 59 2HE MET 9 2HE MET 9 -13.164 13.809 6.508 60 3HE MET 9 3HE MET 9 -12.716 15.516 6.731 61 H ILE 10 H ILE 10 -12.879 11.379 0.348 62 HA ILE 10 HA ILE 10 -12.613 8.876 1.867 63 HB ILE 10 HB ILE 10 -14.420 9.680 -0.402 64 2HG1 ILE 10 2HG1 ILE 10 -14.580 10.416 2.241 65 1HG2 ILE 10 1HG2 ILE 10 -14.119 7.308 -0.682 66 2HG2 ILE 10 2HG2 ILE 10 -14.341 7.023 1.060 67 3HG2 ILE 10 3HG2 ILE 10 -15.695 7.587 0.053 68 1HD1 ILE 10 1HD1 ILE 10 -16.140 11.268 0.622 69 2HD1 ILE 10 2HD1 ILE 10 -16.935 9.682 0.465 70 3HD1 ILE 10 3HD1 ILE 10 -17.041 10.594 1.988 71 H LEU 11 H LEU 11 -11.560 10.038 -1.380 72 HA LEU 11 HA LEU 11 -10.776 7.570 -2.450 73 2HB LEU 11 2HB LEU 11 -9.483 10.262 -2.755 74 HG LEU 11 HG LEU 11 -9.008 9.475 -5.109 75 1HD1 LEU 11 1HD1 LEU 11 -7.232 10.037 -3.534 76 2HD1 LEU 11 2HD1 LEU 11 -7.188 8.360 -2.955 77 3HD1 LEU 11 3HD1 LEU 11 -6.763 8.733 -4.635 78 1HD2 LEU 11 1HD2 LEU 11 -8.914 6.691 -3.900 79 2HD2 LEU 11 2HD2 LEU 11 -10.147 7.282 -5.032 80 3HD2 LEU 11 3HD2 LEU 11 -8.448 7.170 -5.534 81 H THR 12 H THR 12 -8.932 9.591 -0.111 82 HA THR 12 HA THR 12 -6.752 7.781 0.261 83 HB THR 12 HB THR 12 -7.966 10.063 1.744 84 HG1 THR 12 1HG THR 12 -5.821 10.757 1.507 85 1HG2 THR 12 1HG2 THR 12 -7.556 8.673 3.674 86 2HG2 THR 12 2HG2 THR 12 -5.930 8.238 3.082 87 3HG2 THR 12 3HG2 THR 12 -6.304 9.910 3.571 88 H GLN 13 H GLN 13 -10.014 7.669 1.771 89 HA GLN 13 HA GLN 13 -9.268 5.447 3.542 90 2HB GLN 13 2HB GLN 13 -11.887 5.237 3.582 91 2HG GLN 13 2HG GLN 13 -11.070 7.812 4.851 92 1HE2 GLN 13 2HE2 GLN 13 -11.089 4.815 6.678 93 2HE2 GLN 13 1HE2 GLN 13 -12.748 4.941 7.238 94 H ILE 14 H ILE 14 -11.014 5.652 0.345 95 HA ILE 14 HA ILE 14 -11.285 2.780 0.260 96 HB ILE 14 HB ILE 14 -12.690 3.480 -1.308 97 2HG1 ILE 14 2HG1 ILE 14 -11.184 1.803 -2.340 98 1HG2 ILE 14 1HG2 ILE 14 -12.200 5.819 -1.330 99 2HG2 ILE 14 2HG2 ILE 14 -10.702 5.517 -2.280 100 3HG2 ILE 14 3HG2 ILE 14 -12.320 5.288 -2.976 101 1HD1 ILE 14 1HD1 ILE 14 -13.129 2.670 -3.711 102 2HD1 ILE 14 2HD1 ILE 14 -11.983 3.776 -4.512 103 3HD1 ILE 14 3HD1 ILE 14 -11.757 2.036 -4.647 104 H GLU 15 H GLU 15 -8.564 4.931 -0.852 105 HA GLU 15 HA GLU 15 -6.896 2.821 -1.723 106 2HB GLU 15 2HB GLU 15 -5.009 4.382 -1.014 107 2HG GLU 15 2HG GLU 15 -6.539 6.203 -2.625 108 H ALA 16 H ALA 16 -7.869 3.363 1.572 109 HA ALA 16 HA ALA 16 -5.777 1.516 2.598 110 1HB ALA 16 1HB ALA 16 -6.391 3.481 3.943 111 2HB ALA 16 2HB ALA 16 -8.076 2.920 4.020 112 3HB ALA 16 3HB ALA 16 -6.797 1.951 4.765 113 H LYS 17 H LYS 17 -9.377 1.602 2.134 114 HA LYS 17 HA LYS 17 -9.776 -1.089 3.098 115 2HB LYS 17 2HB LYS 17 -11.462 0.950 2.640 116 2HG LYS 17 2HG LYS 17 -11.623 0.597 0.110 117 2HD LYS 17 2HD LYS 17 -12.649 -2.093 1.052 118 2HE LYS 17 2HE LYS 17 -13.681 -0.599 -1.399 119 1HZ LYS 17 1HZ LYS 17 -13.376 -2.972 -1.799 120 2HZ LYS 17 2HZ LYS 17 -14.182 -3.371 -0.434 121 3HZ LYS 17 3HZ LYS 17 -14.973 -2.667 -1.675 122 H GLU 18 H GLU 18 -9.275 0.201 -0.150 123 HA GLU 18 HA GLU 18 -9.484 -2.374 -1.476 124 2HB GLU 18 2HB GLU 18 -9.999 -0.250 -2.632 125 2HG GLU 18 2HG GLU 18 -7.532 0.714 -1.766 126 H ALA 19 H ALA 19 -6.759 -0.491 -0.062 127 HA ALA 19 HA ALA 19 -4.804 -2.449 -0.931 128 1HB ALA 19 1HB ALA 19 -4.114 -0.232 -0.160 129 2HB ALA 19 2HB ALA 19 -4.772 -0.596 1.461 130 3HB ALA 19 3HB ALA 19 -3.393 -1.518 0.810 131 H CYS 20 H CYS 20 -6.968 -2.242 2.012 132 HA CYS 20 HA CYS 20 -5.950 -4.648 3.129 133 2HB CYS 20 2HB CYS 20 -8.808 -3.663 3.411 134 HG CYS 20 HG CYS 20 -8.533 -4.505 5.974 135 H ASP 21 H ASP 21 -8.785 -4.280 0.971 136 HA ASP 21 HA ASP 21 -9.278 -7.062 0.704 137 2HB ASP 21 2HB ASP 21 -9.859 -4.974 -1.425 138 H TRP 22 H TRP 22 -7.280 -4.892 -1.377 139 HA TRP 22 HA TRP 22 -6.487 -6.876 -3.272 140 2HB TRP 22 2HB TRP 22 -5.006 -4.347 -2.475 141 HD1 TRP 22 HD TRP 22 -5.952 -4.927 -6.014 142 HE1 TRP 22 1HE TRP 22 -3.887 -5.351 -7.474 143 HE3 TRP 22 3HE TRP 22 -2.445 -5.636 -2.329 144 HZ2 TRP 22 2HZ TRP 22 -1.165 -6.133 -7.100 145 HZ3 TRP 22 3HZ TRP 22 -0.131 -6.292 -2.924 146 HH2 TRP 22 HH TRP 22 0.507 -6.604 -5.296 147 H LEU 23 H LEU 23 -4.625 -5.586 -0.401 148 HA LEU 23 HA LEU 23 -2.418 -7.356 -0.750 149 2HB LEU 23 2HB LEU 23 -1.947 -6.855 1.671 150 HG LEU 23 HG LEU 23 -2.524 -4.525 -0.196 151 1HD1 LEU 23 1HD1 LEU 23 -2.766 -3.690 2.128 152 2HD1 LEU 23 2HD1 LEU 23 -1.187 -4.381 2.528 153 3HD1 LEU 23 3HD1 LEU 23 -1.304 -3.080 1.333 154 1HD2 LEU 23 1HD2 LEU 23 0.034 -5.764 0.890 155 2HD2 LEU 23 2HD2 LEU 23 -0.598 -5.979 -0.746 156 3HD2 LEU 23 3HD2 LEU 23 -0.055 -4.381 -0.199 157 H ARG 24 H ARG 24 -5.422 -7.802 1.182 158 HA ARG 24 HA ARG 24 -4.843 -10.446 2.111 159 2HB ARG 24 2HB ARG 24 -7.465 -9.018 1.512 160 2HG ARG 24 2HG ARG 24 -7.000 -11.626 3.006 161 2HD ARG 24 2HD ARG 24 -9.527 -11.328 3.451 162 HE ARG 24 HE ARG 24 -7.335 -10.326 5.047 163 1HH1 ARG 24 1HH2 ARG 24 -10.839 -10.330 5.016 164 2HH1 ARG 24 2HH2 ARG 24 -10.943 -10.329 6.755 165 1HH2 ARG 24 1HH1 ARG 24 -7.550 -10.406 7.266 166 2HH2 ARG 24 2HH1 ARG 24 -9.131 -10.344 7.982 167 H ALA 25 H ALA 25 -6.695 -9.504 -0.847 168 HA ALA 25 HA ALA 25 -7.062 -12.208 -1.719 169 1HB ALA 25 1HB ALA 25 -8.532 -10.334 -2.353 170 2HB ALA 25 2HB ALA 25 -7.206 -9.592 -3.278 171 3HB ALA 25 3HB ALA 25 -7.885 -11.154 -3.785 172 H THR 26 H THR 26 -4.480 -9.886 -2.373 173 HA THR 26 HA THR 26 -3.094 -11.301 -4.454 174 HB THR 26 HB THR 26 -2.289 -9.166 -2.450 175 HG1 THR 26 1HG THR 26 -2.471 -7.879 -4.246 176 1HG2 THR 26 1HG2 THR 26 -0.253 -10.474 -3.305 177 2HG2 THR 26 2HG2 THR 26 -0.662 -9.862 -4.918 178 3HG2 THR 26 3HG2 THR 26 -0.271 -8.745 -3.592 179 H GLY 27 H GLY 27 -2.869 -11.414 -0.882 180 1HA GLY 27 2HA GLY 27 -2.376 -13.804 -0.161 181 2HA GLY 27 3HA GLY 27 -0.882 -13.669 -1.083 182 H PHE 28 H PHE 28 -1.721 -10.767 0.550 183 HA PHE 28 HA PHE 28 0.136 -11.310 2.819 184 2HB PHE 28 2HB PHE 28 1.273 -9.303 2.417 185 HD1 PHE 28 2HD PHE 28 2.889 -11.184 1.870 186 HD2 PHE 28 1HD PHE 28 0.410 -9.265 -1.088 187 HE1 PHE 28 2HE PHE 28 4.336 -12.089 0.061 188 HE2 PHE 28 1HE PHE 28 1.908 -10.119 -2.889 189 HZ PHE 28 HZ PHE 28 3.816 -11.556 -2.319 190 HA PRO 29 HA PRO 29 -3.856 -9.026 4.042 191 2HB PRO 29 2HB PRO 29 -5.213 -10.802 4.371 192 2HG PRO 29 2HG PRO 29 -4.355 -12.960 4.456 193 2HD PRO 29 2HD PRO 29 -2.956 -12.241 2.769 194 H GLN 30 H GLN 30 -1.000 -10.159 5.632 195 HA GLN 30 HA GLN 30 -1.161 -8.718 8.106 196 2HB GLN 30 2HB GLN 30 1.147 -9.776 6.428 197 2HG GLN 30 2HG GLN 30 2.136 -8.154 7.911 198 1HE2 GLN 30 2HE2 GLN 30 1.346 -6.705 9.440 199 2HE2 GLN 30 1HE2 GLN 30 0.671 -7.179 10.990 200 H TYR 31 H TYR 31 0.116 -7.672 4.848 201 HA TYR 31 HA TYR 31 1.401 -5.314 5.888 202 2HB TYR 31 2HB TYR 31 1.116 -4.502 3.484 203 HD1 TYR 31 1HD TYR 31 3.468 -5.317 5.158 204 HD2 TYR 31 2HD TYR 31 1.615 -7.151 1.728 205 HE1 TYR 31 1HE TYR 31 5.661 -6.259 4.455 206 HE2 TYR 31 2HE TYR 31 3.766 -8.185 1.098 207 HH TYR 31 HH TYR 31 6.020 -8.197 1.480 208 H ALA 32 H ALA 32 -1.905 -5.866 4.749 209 HA ALA 32 HA ALA 32 -2.844 -3.171 4.974 210 1HB ALA 32 1HB ALA 32 -4.008 -5.022 3.828 211 2HB ALA 32 2HB ALA 32 -4.293 -5.824 5.388 212 3HB ALA 32 3HB ALA 32 -5.032 -4.240 5.067 213 H GLN 33 H GLN 33 -2.575 -5.833 7.383 214 HA GLN 33 HA GLN 33 -3.745 -4.350 9.557 215 2HB GLN 33 2HB GLN 33 -1.950 -6.237 10.650 216 2HG GLN 33 2HG GLN 33 -4.316 -5.842 11.318 217 1HE2 GLN 33 2HE2 GLN 33 -5.034 -8.793 9.549 218 2HE2 GLN 33 1HE2 GLN 33 -6.308 -8.081 8.564 219 H LEU 34 H LEU 34 -0.346 -4.653 8.460 220 HA LEU 34 HA LEU 34 0.818 -3.153 10.613 221 2HB LEU 34 2HB LEU 34 2.429 -2.553 8.608 222 HG LEU 34 HG LEU 34 2.168 -5.085 10.117 223 1HD1 LEU 34 1HD1 LEU 34 2.739 -5.912 7.855 224 2HD1 LEU 34 2HD1 LEU 34 4.106 -4.798 7.783 225 3HD1 LEU 34 3HD1 LEU 34 4.102 -6.105 8.978 226 1HD2 LEU 34 1HD2 LEU 34 4.644 -3.400 9.699 227 2HD2 LEU 34 2HD2 LEU 34 3.409 -2.983 10.902 228 3HD2 LEU 34 3HD2 LEU 34 4.278 -4.527 11.005 229 H TYR 35 H TYR 35 -0.757 -2.019 7.597 230 HA TYR 35 HA TYR 35 -0.337 0.800 8.268 231 2HB TYR 35 2HB TYR 35 -2.165 -0.579 6.296 232 HD1 TYR 35 1HD TYR 35 -0.207 2.558 5.876 233 HD2 TYR 35 2HD TYR 35 -4.128 0.856 6.496 234 HE1 TYR 35 1HE TYR 35 -1.258 4.693 5.152 235 HE2 TYR 35 2HE TYR 35 -5.156 3.025 5.861 236 HH TYR 35 HH TYR 35 -4.806 5.138 5.027 237 H GLU 36 H GLU 36 -3.244 -1.383 8.459 238 HA GLU 36 HA GLU 36 -4.927 0.567 9.648 239 2HB GLU 36 2HB GLU 36 -6.239 -1.491 10.427 240 2HG GLU 36 2HG GLU 36 -6.480 -2.448 8.017 241 H ASP 37 H ASP 37 -2.332 -1.211 11.142 242 HA ASP 37 HA ASP 37 -2.992 -0.892 13.889 243 2HB ASP 37 2HB ASP 37 -0.243 -0.812 12.587 244 H PHE 38 H PHE 38 -1.027 1.294 11.776 245 HA PHE 38 HA PHE 38 -1.978 3.688 13.011 246 2HB PHE 38 2HB PHE 38 0.859 3.724 13.788 247 HD1 PHE 38 1HD PHE 38 -0.846 6.002 13.734 248 HD2 PHE 38 2HD PHE 38 -0.843 2.810 16.637 249 HE1 PHE 38 1HE PHE 38 -2.014 7.469 15.338 250 HE2 PHE 38 2HE PHE 38 -1.995 4.295 18.257 251 HZ PHE 38 HZ PHE 38 -2.605 6.619 17.601 252 H LEU 39 H LEU 39 -1.291 2.624 10.336 253 HA LEU 39 HA LEU 39 -0.306 3.053 8.397 254 2HB LEU 39 2HB LEU 39 -0.339 5.162 7.527 255 HG LEU 39 HG LEU 39 -2.343 6.060 7.781 256 1HD1 LEU 39 1HD1 LEU 39 -2.753 3.534 8.109 257 2HD1 LEU 39 2HD1 LEU 39 -3.156 3.946 9.775 258 3HD1 LEU 39 3HD1 LEU 39 -4.068 4.670 8.444 259 1HD2 LEU 39 1HD2 LEU 39 -2.201 5.902 10.806 260 2HD2 LEU 39 2HD2 LEU 39 -1.772 7.308 9.808 261 3HD2 LEU 39 3HD2 LEU 39 -3.446 6.719 9.840 262 H PHE 40 H PHE 40 1.530 1.815 8.702 263 HA PHE 40 HA PHE 40 3.929 2.862 9.928 264 2HB PHE 40 2HB PHE 40 3.087 0.547 10.163 265 HD1 PHE 40 1HD PHE 40 1.846 0.675 7.272 266 HD2 PHE 40 2HD PHE 40 5.361 -1.278 8.836 267 HE1 PHE 40 1HE PHE 40 1.723 -0.990 5.465 268 HE2 PHE 40 2HE PHE 40 5.225 -2.946 7.014 269 HZ PHE 40 HZ PHE 40 3.395 -2.820 5.341 270 HA PRO 41 HA PRO 41 5.525 4.209 5.883 271 2HB PRO 41 2HB PRO 41 5.515 6.308 6.812 272 2HG PRO 41 2HG PRO 41 6.112 6.701 9.037 273 2HD PRO 41 2HD PRO 41 4.642 4.999 9.459 274 H ILE 42 H ILE 42 6.348 1.971 5.634 275 HA ILE 42 HA ILE 42 9.204 1.594 6.321 276 HB ILE 42 HB ILE 42 9.067 -0.598 5.786 277 2HG1 ILE 42 2HG1 ILE 42 8.386 -1.119 3.736 278 1HG2 ILE 42 1HG2 ILE 42 7.679 0.100 7.729 279 2HG2 ILE 42 2HG2 ILE 42 6.253 0.009 6.676 280 3HG2 ILE 42 3HG2 ILE 42 7.214 -1.453 7.023 281 1HD1 ILE 42 1HD1 ILE 42 6.681 -2.523 4.957 282 2HD1 ILE 42 2HD1 ILE 42 5.532 -1.169 4.757 283 3HD1 ILE 42 3HD1 ILE 42 6.172 -1.982 3.343 284 H ASP 43 H ASP 43 10.657 0.713 4.578 285 HA ASP 43 HA ASP 43 10.438 2.357 2.091 286 2HB ASP 43 2HB ASP 43 12.840 0.858 3.197 287 H ILE 44 H ILE 44 9.925 1.298 0.202 288 HA ILE 44 HA ILE 44 9.383 -1.535 0.063 289 HB ILE 44 HB ILE 44 9.869 0.505 -2.130 290 2HG1 ILE 44 2HG1 ILE 44 7.452 0.587 -2.364 291 1HG2 ILE 44 1HG2 ILE 44 10.268 -1.682 -3.092 292 2HG2 ILE 44 2HG2 ILE 44 8.812 -2.350 -2.335 293 3HG2 ILE 44 3HG2 ILE 44 8.696 -1.127 -3.619 294 1HD1 ILE 44 1HD1 ILE 44 6.820 -1.696 -1.458 295 2HD1 ILE 44 2HD1 ILE 44 7.165 -1.076 0.172 296 3HD1 ILE 44 3HD1 ILE 44 5.899 -0.332 -0.821 297 H SER 45 H SER 45 12.361 0.334 -0.461 298 HA SER 45 HA SER 45 13.922 -1.771 -1.658 299 2HB SER 45 2HB SER 45 14.629 0.607 0.080 300 HG SER 45 HG SER 45 16.749 0.264 -0.501 301 H LEU 46 H LEU 46 12.918 -1.197 1.692 302 HA LEU 46 HA LEU 46 14.516 -3.433 2.775 303 2HB LEU 46 2HB LEU 46 12.654 -1.355 3.932 304 HG LEU 46 HG LEU 46 13.658 -3.846 5.357 305 1HD1 LEU 46 1HD1 LEU 46 14.607 -1.873 6.491 306 2HD1 LEU 46 2HD1 LEU 46 12.995 -1.117 6.546 307 3HD1 LEU 46 3HD1 LEU 46 13.326 -2.604 7.468 308 1HD2 LEU 46 1HD2 LEU 46 11.023 -2.284 5.326 309 2HD2 LEU 46 2HD2 LEU 46 11.270 -3.981 4.871 310 3HD2 LEU 46 3HD2 LEU 46 11.406 -3.513 6.546 311 H VAL 47 H VAL 47 11.084 -2.751 1.902 312 HA VAL 47 HA VAL 47 10.215 -5.289 2.909 313 HB VAL 47 HB VAL 47 8.953 -2.977 1.902 314 1HG1 VAL 47 1HG1 VAL 47 8.710 -4.101 -0.335 315 2HG1 VAL 47 2HG1 VAL 47 7.765 -5.381 0.478 316 3HG1 VAL 47 3HG1 VAL 47 7.211 -3.699 0.464 317 1HG2 VAL 47 1HG2 VAL 47 7.917 -5.584 3.072 318 2HG2 VAL 47 2HG2 VAL 47 8.413 -4.113 3.946 319 3HG2 VAL 47 3HG2 VAL 47 6.964 -4.105 2.930 320 H LYS 48 H LYS 48 11.249 -4.364 -0.350 321 HA LYS 48 HA LYS 48 10.612 -6.800 -1.688 322 2HB LYS 48 2HB LYS 48 12.703 -4.639 -2.115 323 2HG LYS 48 2HG LYS 48 12.080 -6.065 -4.577 324 2HD LYS 48 2HD LYS 48 14.584 -6.311 -4.647 325 2HE LYS 48 2HE LYS 48 14.597 -3.519 -3.970 326 1HZ LYS 48 1HZ LYS 48 15.548 -4.478 -5.994 327 2HZ LYS 48 2HZ LYS 48 14.063 -4.824 -6.589 328 3HZ LYS 48 3HZ LYS 48 14.524 -3.270 -6.390 329 H ARG 49 H ARG 49 13.659 -5.892 -0.034 330 HA ARG 49 HA ARG 49 14.892 -8.467 -0.461 331 2HB ARG 49 2HB ARG 49 16.219 -6.498 0.010 332 2HG ARG 49 2HG ARG 49 15.036 -6.619 2.823 333 2HD ARG 49 2HD ARG 49 17.444 -6.013 2.925 334 HE ARG 49 HE ARG 49 16.738 -3.539 1.378 335 1HH1 ARG 49 1HH2 ARG 49 18.709 -6.428 1.453 336 2HH1 ARG 49 2HH2 ARG 49 19.718 -5.882 0.141 337 1HH2 ARG 49 1HH1 ARG 49 18.106 -2.854 -0.199 338 2HH2 ARG 49 2HH1 ARG 49 19.401 -3.884 -0.745 339 H GLU 50 H GLU 50 12.780 -7.322 2.176 340 HA GLU 50 HA GLU 50 13.085 -9.741 3.759 341 2HB GLU 50 2HB GLU 50 10.843 -8.901 4.741 342 2HG GLU 50 2HG GLU 50 13.098 -6.889 4.968 343 H HIS 51 H HIS 51 10.802 -8.785 1.222 344 HA HIS 51 HA HIS 51 9.625 -11.532 1.197 345 1HB HIS 51 2HB HIS 51 8.319 -8.834 0.822 346 2HB HIS 51 3HB HIS 51 7.628 -10.301 0.142 347 HD1 HIS 51 1HD HIS 51 8.818 -9.299 3.727 348 HD2 HIS 51 2HD HIS 51 5.872 -11.405 1.606 349 HE1 HIS 51 1HE HIS 51 7.185 -10.190 5.472 350 H ASP 52 H ASP 52 11.774 -11.645 0.012 351 HA ASP 52 HA ASP 52 11.508 -11.165 -2.897 352 2HB ASP 52 2HB ASP 52 13.751 -12.440 -1.285 353 H PHE 53 H PHE 53 10.035 -13.268 -1.006 354 HA PHE 53 HA PHE 53 10.551 -15.886 -2.054 355 2HB PHE 53 2HB PHE 53 8.143 -14.626 -0.677 356 HD1 PHE 53 2HD PHE 53 9.783 -18.008 -0.693 357 HD2 PHE 53 1HD PHE 53 6.165 -15.754 -1.350 358 HE1 PHE 53 2HE PHE 53 8.530 -20.123 -1.066 359 HE2 PHE 53 1HE PHE 53 4.915 -17.866 -1.722 360 HZ PHE 53 HZ PHE 53 6.098 -20.051 -1.587 361 H LEU 54 H LEU 54 9.002 -13.208 -3.476 362 HA LEU 54 HA LEU 54 7.796 -14.798 -5.682 363 2HB LEU 54 2HB LEU 54 5.889 -14.131 -4.602 364 HG LEU 54 HG LEU 54 5.329 -11.740 -4.008 365 1HD1 LEU 54 1HD1 LEU 54 5.451 -13.520 -2.341 366 2HD1 LEU 54 2HD1 LEU 54 7.175 -13.191 -2.092 367 3HD1 LEU 54 3HD1 LEU 54 5.990 -11.968 -1.680 368 1HD2 LEU 54 1HD2 LEU 54 8.316 -11.409 -3.618 369 2HD2 LEU 54 2HD2 LEU 54 7.310 -10.530 -4.776 370 3HD2 LEU 54 3HD2 LEU 54 7.055 -10.315 -3.039 371 H ASP 55 H ASP 55 7.458 -13.480 -7.659 372 HA ASP 55 HA ASP 55 10.011 -12.619 -8.586 373 2HB ASP 55 2HB ASP 55 8.763 -11.961 -10.655 374 H ARG 56 H ARG 56 10.603 -10.555 -9.581 375 HA ARG 56 HA ARG 56 10.142 -8.210 -8.001 376 2HB ARG 56 2HB ARG 56 11.046 -6.985 -10.031 377 2HG ARG 56 2HG ARG 56 12.616 -9.369 -8.969 378 2HD ARG 56 2HD ARG 56 14.508 -7.540 -9.397 379 HE ARG 56 HE ARG 56 13.952 -8.733 -11.972 380 1HH1 ARG 56 1HH2 ARG 56 14.953 -9.610 -8.724 381 2HH1 ARG 56 2HH2 ARG 56 15.802 -11.027 -9.270 382 1HH2 ARG 56 1HH1 ARG 56 15.084 -10.555 -12.594 383 2HH2 ARG 56 2HH1 ARG 56 15.875 -11.536 -11.394 384 H ASP 57 H ASP 57 8.318 -9.454 -10.755 385 HA ASP 57 HA ASP 57 6.683 -7.159 -11.196 386 2HB ASP 57 2HB ASP 57 5.659 -9.989 -11.513 387 H ALA 58 H ALA 58 6.378 -9.855 -8.859 388 HA ALA 58 HA ALA 58 3.794 -9.021 -7.805 389 1HB ALA 58 1HB ALA 58 4.622 -11.351 -7.566 390 2HB ALA 58 2HB ALA 58 5.965 -10.748 -6.570 391 3HB ALA 58 3HB ALA 58 4.299 -10.586 -5.994 392 H ILE 59 H ILE 59 7.257 -8.377 -6.930 393 HA ILE 59 HA ILE 59 6.492 -6.675 -4.742 394 HB ILE 59 HB ILE 59 9.010 -7.421 -5.935 395 2HG1 ILE 59 2HG1 ILE 59 9.825 -7.058 -3.713 396 1HG2 ILE 59 1HG2 ILE 59 9.207 -5.149 -6.845 397 2HG2 ILE 59 2HG2 ILE 59 8.872 -4.445 -5.247 398 3HG2 ILE 59 3HG2 ILE 59 10.332 -5.388 -5.526 399 1HD1 ILE 59 1HD1 ILE 59 8.790 -4.921 -2.988 400 2HD1 ILE 59 2HD1 ILE 59 7.185 -5.669 -2.998 401 3HD1 ILE 59 3HD1 ILE 59 8.406 -6.224 -1.856 402 H GLU 60 H GLU 60 6.965 -5.882 -8.218 403 HA GLU 60 HA GLU 60 6.622 -3.062 -7.865 404 2HB GLU 60 2HB GLU 60 5.912 -3.188 -10.326 405 2HG GLU 60 2HG GLU 60 8.165 -4.395 -11.013 406 H ALA 61 H ALA 61 4.232 -5.664 -8.313 407 HA ALA 61 HA ALA 61 1.900 -3.964 -8.335 408 1HB ALA 61 1HB ALA 61 2.062 -6.283 -9.266 409 2HB ALA 61 2HB ALA 61 2.200 -6.917 -7.611 410 3HB ALA 61 3HB ALA 61 0.723 -6.083 -8.137 411 H LEU 62 H LEU 62 3.450 -5.920 -5.727 412 HA LEU 62 HA LEU 62 1.710 -5.130 -3.600 413 2HB LEU 62 2HB LEU 62 4.540 -6.205 -3.763 414 HG LEU 62 HG LEU 62 4.375 -5.041 -1.635 415 1HD1 LEU 62 1HD1 LEU 62 1.901 -5.167 -1.313 416 2HD1 LEU 62 2HD1 LEU 62 2.047 -6.916 -1.024 417 3HD1 LEU 62 3HD1 LEU 62 2.802 -5.741 0.078 418 1HD2 LEU 62 1HD2 LEU 62 4.224 -8.043 -1.258 419 2HD2 LEU 62 2HD2 LEU 62 5.634 -7.181 -1.905 420 3HD2 LEU 62 3HD2 LEU 62 5.095 -6.840 -0.263 421 H CYS 63 H CYS 63 4.825 -3.805 -4.702 422 HA CYS 63 HA CYS 63 5.110 -1.606 -2.962 423 2HB CYS 63 2HB CYS 63 5.823 -1.960 -5.899 424 HG CYS 63 HG CYS 63 7.717 -0.125 -5.710 425 H ARG 64 H ARG 64 2.829 -1.986 -5.761 426 HA ARG 64 HA ARG 64 2.191 0.792 -5.788 427 2HB ARG 64 2HB ARG 64 0.160 -1.395 -6.404 428 2HG ARG 64 2HG ARG 64 0.780 1.436 -7.270 429 2HD ARG 64 2HD ARG 64 -1.201 -0.126 -8.869 430 HE ARG 64 HE ARG 64 0.239 2.361 -9.060 431 1HH1 ARG 64 1HH2 ARG 64 -0.923 -0.149 -11.193 432 2HH1 ARG 64 2HH2 ARG 64 -0.883 0.892 -12.591 433 1HH2 ARG 64 1HH1 ARG 64 0.314 3.625 -10.861 434 2HH2 ARG 64 2HH1 ARG 64 -0.191 2.988 -12.400 435 H ARG 65 H ARG 65 0.714 -1.849 -3.901 436 HA ARG 65 HA ARG 65 -1.058 -0.001 -2.425 437 2HB ARG 65 2HB ARG 65 -1.568 -1.970 -1.030 438 2HG ARG 65 2HG ARG 65 -2.727 -3.277 -2.566 439 2HD ARG 65 2HD ARG 65 -2.266 -0.687 -4.076 440 HE ARG 65 HE ARG 65 -4.489 -2.679 -4.252 441 1HH1 ARG 65 1HH2 ARG 65 -2.822 0.033 -5.717 442 2HH1 ARG 65 2HH2 ARG 65 -3.796 -0.039 -7.159 443 1HH2 ARG 65 1HH1 ARG 65 -5.774 -2.587 -6.034 444 2HH2 ARG 65 2HH1 ARG 65 -5.428 -1.472 -7.317 445 H LEU 66 H LEU 66 1.910 -1.826 -1.515 446 HA LEU 66 HA LEU 66 2.046 -0.586 1.039 447 2HB LEU 66 2HB LEU 66 4.553 -1.141 0.822 448 HG LEU 66 HG LEU 66 2.561 -3.425 0.605 449 1HD1 LEU 66 1HD1 LEU 66 4.925 -4.048 0.212 450 2HD1 LEU 66 2HD1 LEU 66 5.390 -3.199 1.687 451 3HD1 LEU 66 3HD1 LEU 66 4.379 -4.649 1.780 452 1HD2 LEU 66 1HD2 LEU 66 3.564 -1.733 2.937 453 2HD2 LEU 66 2HD2 LEU 66 1.890 -2.186 2.532 454 3HD2 LEU 66 3HD2 LEU 66 3.009 -3.394 3.163 455 H ASN 67 H ASN 67 3.558 0.641 -2.056 456 HA ASN 67 HA ASN 67 4.703 2.970 -0.895 457 2HB ASN 67 2HB ASN 67 3.403 2.665 -3.632 458 1HD2 ASN 67 2HD2 ASN 67 6.465 3.873 -3.916 459 2HD2 ASN 67 1HD2 ASN 67 6.027 5.570 -4.047 460 H THR 68 H THR 68 1.335 2.554 -2.225 461 HA THR 68 HA THR 68 0.346 5.074 -1.442 462 HB THR 68 HB THR 68 -0.882 2.366 -1.897 463 HG1 THR 68 1HG THR 68 -1.899 3.695 -3.526 464 1HG2 THR 68 1HG2 THR 68 -2.363 3.211 -0.181 465 2HG2 THR 68 2HG2 THR 68 -2.477 4.787 -1.003 466 3HG2 THR 68 3HG2 THR 68 -3.129 3.305 -1.757 467 H LEU 69 H LEU 69 0.467 2.088 0.554 468 HA LEU 69 HA LEU 69 -0.739 3.313 2.870 469 2HB LEU 69 2HB LEU 69 0.090 1.240 4.005 470 HG LEU 69 HG LEU 69 -1.126 0.435 1.343 471 1HD1 LEU 69 1HD1 LEU 69 -0.420 -1.359 2.864 472 2HD1 LEU 69 2HD1 LEU 69 -1.462 -0.684 4.123 473 3HD1 LEU 69 3HD1 LEU 69 -2.183 -1.304 2.657 474 1HD2 LEU 69 1HD2 LEU 69 -2.578 1.687 3.666 475 2HD2 LEU 69 2HD2 LEU 69 -2.525 2.258 1.993 476 3HD2 LEU 69 3HD2 LEU 69 -3.358 0.764 2.395 477 H ASN 70 H ASN 70 2.684 2.610 2.135 478 HA ASN 70 HA ASN 70 3.893 3.741 4.416 479 2HB ASN 70 2HB ASN 70 5.945 3.763 3.065 480 1HD2 ASN 70 2HD2 ASN 70 6.313 1.713 1.096 481 2HD2 ASN 70 1HD2 ASN 70 5.956 0.193 1.908 482 H LYS 71 H LYS 71 2.893 5.222 1.350 483 HA LYS 71 HA LYS 71 3.965 7.873 1.804 484 2HB LYS 71 2HB LYS 71 1.823 6.769 -0.055 485 2HG LYS 71 2HG LYS 71 2.849 9.577 0.259 486 2HD LYS 71 2HD LYS 71 1.982 9.807 -2.217 487 2HE LYS 71 2HE LYS 71 4.253 9.198 -3.173 488 1HZ LYS 71 1HZ LYS 71 3.908 11.372 -2.145 489 2HZ LYS 71 2HZ LYS 71 4.316 10.799 -0.670 490 3HZ LYS 71 3HZ LYS 71 5.431 10.861 -1.859 491 H CYS 72 H CYS 72 0.585 6.605 2.026 492 HA CYS 72 HA CYS 72 -0.362 8.781 3.648 493 2HB CYS 72 2HB CYS 72 -2.281 7.236 4.082 494 HG CYS 72 HG CYS 72 -3.322 7.185 1.723 495 H ALA 73 H ALA 73 1.948 6.586 4.540 496 HA ALA 73 HA ALA 73 1.295 6.757 7.425 497 1HB ALA 73 1HB ALA 73 1.929 4.559 6.594 498 2HB ALA 73 2HB ALA 73 3.395 5.228 5.862 499 3HB ALA 73 3HB ALA 73 3.240 5.240 7.589 500 H VAL 74 H VAL 74 3.529 8.174 5.043 501 HA VAL 74 HA VAL 74 4.969 9.603 7.226 502 HB VAL 74 HB VAL 74 6.222 10.746 5.453 503 1HG1 VAL 74 1HG1 VAL 74 6.995 8.626 6.565 504 2HG1 VAL 74 2HG1 VAL 74 6.386 7.738 5.146 505 3HG1 VAL 74 3HG1 VAL 74 7.685 8.925 4.964 506 1HG2 VAL 74 1HG2 VAL 74 4.959 8.769 3.522 507 2HG2 VAL 74 2HG2 VAL 74 4.642 10.520 3.524 508 3HG2 VAL 74 3HG2 VAL 74 6.263 9.908 3.166 509 H MET 75 H MET 75 2.509 10.274 4.714 510 HA MET 75 HA MET 75 2.445 13.107 5.472 511 2HB MET 75 2HB MET 75 2.232 12.518 3.128 512 2HG MET 75 2HG MET 75 -0.059 10.862 4.056 513 1HE MET 75 1HE MET 75 -2.393 11.478 3.928 514 2HE MET 75 2HE MET 75 -1.865 13.177 3.918 515 3HE MET 75 3HE MET 75 -3.106 12.623 2.773 516 H LYS 76 H LYS 76 1.562 11.014 7.484 517 HA LYS 76 HA LYS 76 -0.944 12.368 8.347 518 2HB LYS 76 2HB LYS 76 -1.718 10.121 9.229 519 2HG LYS 76 2HG LYS 76 -1.703 9.803 6.253 520 2HD LYS 76 2HD LYS 76 -3.444 9.010 8.312 521 2HE LYS 76 2HE LYS 76 -5.563 10.206 7.748 522 1HZ LYS 76 1HZ LYS 76 -4.378 11.100 9.659 523 2HZ LYS 76 2HZ LYS 76 -3.455 12.069 8.714 524 3HZ LYS 76 3HZ LYS 76 -5.056 12.335 8.837 Start of MODEL 7 1 1H MET 1 H MET 1 -16.015 6.705 -14.250 2 HA MET 1 HA MET 1 -13.855 6.525 -12.423 3 2HB MET 1 2HB MET 1 -13.047 4.577 -14.489 4 2HG MET 1 2HG MET 1 -12.037 5.335 -12.104 5 1HE MET 1 1HE MET 1 -13.873 1.841 -12.450 6 2HE MET 1 2HE MET 1 -12.274 1.532 -11.741 7 3HE MET 1 3HE MET 1 -13.740 1.254 -10.780 8 H CYS 2 H CYS 2 -11.765 7.169 -13.385 9 HA CYS 2 HA CYS 2 -10.585 8.738 -14.488 10 2HB CYS 2 2HB CYS 2 -12.152 8.135 -17.013 11 HG CYS 2 HG CYS 2 -9.790 8.223 -18.307 12 H ARG 3 H ARG 3 -10.899 10.771 -16.051 13 HA ARG 3 HA ARG 3 -11.443 13.004 -15.934 14 2HB ARG 3 2HB ARG 3 -13.707 13.490 -16.773 15 2HG ARG 3 2HG ARG 3 -12.536 11.089 -18.239 16 2HD ARG 3 2HD ARG 3 -14.063 13.587 -19.129 17 HE ARG 3 HE ARG 3 -13.756 11.429 -21.038 18 1HH1 ARG 3 1HH2 ARG 3 -12.118 14.333 -19.931 19 2HH1 ARG 3 2HH2 ARG 3 -11.207 14.483 -21.408 20 1HH2 ARG 3 1HH1 ARG 3 -12.584 11.700 -22.886 21 2HH2 ARG 3 2HH1 ARG 3 -11.479 13.034 -23.040 22 H LYS 4 H LYS 4 -11.052 13.804 -14.021 23 HA LYS 4 HA LYS 4 -11.288 14.842 -12.020 24 2HB LYS 4 2HB LYS 4 -13.398 15.602 -11.142 25 2HG LYS 4 2HG LYS 4 -13.437 15.989 -14.167 26 2HD LYS 4 2HD LYS 4 -14.328 17.779 -11.864 27 2HE LYS 4 2HE LYS 4 -15.312 18.307 -14.604 28 1HZ LYS 4 1HZ LYS 4 -15.434 19.902 -12.738 29 2HZ LYS 4 2HZ LYS 4 -13.804 20.028 -12.704 30 3HZ LYS 4 3HZ LYS 4 -14.635 20.550 -14.004 31 H LYS 5 H LYS 5 -10.433 13.684 -10.517 32 HA LYS 5 HA LYS 5 -11.175 11.039 -9.769 33 2HB LYS 5 2HB LYS 5 -9.652 11.563 -7.755 34 2HG LYS 5 2HG LYS 5 -8.670 12.073 -10.606 35 2HD LYS 5 2HD LYS 5 -7.132 11.416 -8.074 36 2HE LYS 5 2HE LYS 5 -6.583 10.043 -10.216 37 1HZ LYS 5 1HZ LYS 5 -6.439 11.997 -11.715 38 2HZ LYS 5 2HZ LYS 5 -5.201 12.606 -10.833 39 3HZ LYS 5 3HZ LYS 5 -5.014 11.205 -11.640 40 HA PRO 6 HA PRO 6 -14.579 11.713 -7.066 41 2HB PRO 6 2HB PRO 6 -14.955 9.472 -7.400 42 2HG PRO 6 2HG PRO 6 -13.209 7.869 -7.296 43 2HD PRO 6 2HD PRO 6 -12.388 9.399 -8.850 44 H ASP 7 H ASP 7 -13.254 13.501 -6.225 45 HA ASP 7 HA ASP 7 -12.552 14.920 -4.627 46 2HB ASP 7 2HB ASP 7 -13.258 14.556 -2.277 47 H THR 8 H THR 8 -10.326 15.016 -4.687 48 HA THR 8 HA THR 8 -8.528 12.983 -4.014 49 HB THR 8 HB THR 8 -7.956 15.041 -5.226 50 HG1 THR 8 1HG THR 8 -5.885 15.146 -4.373 51 1HG2 THR 8 1HG2 THR 8 -8.945 16.737 -3.632 52 2HG2 THR 8 2HG2 THR 8 -7.636 16.354 -2.490 53 3HG2 THR 8 3HG2 THR 8 -7.262 17.054 -4.073 54 H MET 9 H MET 9 -10.023 15.265 -1.776 55 HA MET 9 HA MET 9 -8.546 14.657 0.599 56 2HB MET 9 2HB MET 9 -10.594 15.583 1.739 57 2HG MET 9 2HG MET 9 -8.921 16.925 -0.234 58 1HE MET 9 1HE MET 9 -12.301 18.170 1.464 59 2HE MET 9 2HE MET 9 -11.086 19.466 1.541 60 3HE MET 9 3HE MET 9 -12.527 19.662 0.524 61 H ILE 10 H ILE 10 -11.122 12.899 -1.024 62 HA ILE 10 HA ILE 10 -11.343 10.948 1.226 63 HB ILE 10 HB ILE 10 -13.006 11.393 -1.277 64 2HG1 ILE 10 2HG1 ILE 10 -13.249 12.798 0.970 65 1HG2 ILE 10 1HG2 ILE 10 -12.901 8.985 -1.003 66 2HG2 ILE 10 2HG2 ILE 10 -13.161 9.112 0.750 67 3HG2 ILE 10 3HG2 ILE 10 -14.456 9.512 -0.391 68 1HD1 ILE 10 1HD1 ILE 10 -14.973 12.997 -0.695 69 2HD1 ILE 10 2HD1 ILE 10 -15.653 11.411 -0.280 70 3HD1 ILE 10 3HD1 ILE 10 -15.727 12.746 0.881 71 H LEU 11 H LEU 11 -10.187 11.238 -2.180 72 HA LEU 11 HA LEU 11 -9.656 8.616 -2.720 73 2HB LEU 11 2HB LEU 11 -7.524 10.565 -3.455 74 HG LEU 11 HG LEU 11 -9.248 8.915 -5.340 75 1HD1 LEU 11 1HD1 LEU 11 -7.797 10.786 -6.119 76 2HD1 LEU 11 2HD1 LEU 11 -6.374 9.906 -5.530 77 3HD1 LEU 11 3HD1 LEU 11 -7.362 9.217 -6.837 78 1HD2 LEU 11 1HD2 LEU 11 -6.657 7.921 -4.109 79 2HD2 LEU 11 2HD2 LEU 11 -8.262 7.162 -3.945 80 3HD2 LEU 11 3HD2 LEU 11 -7.471 7.206 -5.515 81 H THR 12 H THR 12 -7.566 10.765 -0.762 82 HA THR 12 HA THR 12 -5.570 8.855 -0.038 83 HB THR 12 HB THR 12 -6.517 11.507 0.894 84 HG1 THR 12 1HG THR 12 -4.304 11.865 0.646 85 1HG2 THR 12 1HG2 THR 12 -6.327 10.531 3.118 86 2HG2 THR 12 2HG2 THR 12 -4.750 9.809 2.698 87 3HG2 THR 12 3HG2 THR 12 -4.942 11.574 2.796 88 H GLN 13 H GLN 13 -8.809 9.345 1.389 89 HA GLN 13 HA GLN 13 -8.328 7.461 3.592 90 2HB GLN 13 2HB GLN 13 -10.888 7.623 3.768 91 2HG GLN 13 2HG GLN 13 -9.342 10.226 4.080 92 1HE2 GLN 13 2HE2 GLN 13 -11.094 8.864 6.749 93 2HE2 GLN 13 1HE2 GLN 13 -12.515 9.890 6.601 94 H ILE 14 H ILE 14 -10.023 7.288 0.364 95 HA ILE 14 HA ILE 14 -10.684 4.520 0.798 96 HB ILE 14 HB ILE 14 -12.029 5.189 -0.821 97 2HG1 ILE 14 2HG1 ILE 14 -10.967 3.117 -1.567 98 1HG2 ILE 14 1HG2 ILE 14 -11.166 7.354 -1.282 99 2HG2 ILE 14 2HG2 ILE 14 -9.818 6.641 -2.235 100 3HG2 ILE 14 3HG2 ILE 14 -11.509 6.575 -2.783 101 1HD1 ILE 14 1HD1 ILE 14 -12.681 4.192 -3.134 102 2HD1 ILE 14 2HD1 ILE 14 -11.300 4.816 -4.075 103 3HD1 ILE 14 3HD1 ILE 14 -11.534 3.088 -3.909 104 H GLU 15 H GLU 15 -7.763 6.086 -0.628 105 HA GLU 15 HA GLU 15 -6.353 3.697 -1.200 106 2HB GLU 15 2HB GLU 15 -4.317 5.205 -0.542 107 2HG GLU 15 2HG GLU 15 -5.531 6.752 -2.631 108 H ALA 16 H ALA 16 -7.136 4.891 2.019 109 HA ALA 16 HA ALA 16 -5.276 3.054 3.346 110 1HB ALA 16 1HB ALA 16 -6.021 5.145 4.408 111 2HB ALA 16 2HB ALA 16 -7.701 4.572 4.407 112 3HB ALA 16 3HB ALA 16 -6.507 3.722 5.366 113 H LYS 17 H LYS 17 -8.823 3.015 2.605 114 HA LYS 17 HA LYS 17 -9.130 0.330 3.758 115 2HB LYS 17 2HB LYS 17 -10.919 2.168 3.740 116 2HG LYS 17 2HG LYS 17 -11.485 0.948 0.983 117 2HD LYS 17 2HD LYS 17 -13.226 2.968 1.142 118 2HE LYS 17 2HE LYS 17 -14.863 1.210 2.255 119 1HZ LYS 17 1HZ LYS 17 -14.793 1.566 -0.122 120 2HZ LYS 17 2HZ LYS 17 -13.468 0.626 -0.308 121 3HZ LYS 17 3HZ LYS 17 -14.886 -0.034 0.156 122 H GLU 18 H GLU 18 -8.890 1.584 0.465 123 HA GLU 18 HA GLU 18 -9.204 -0.980 -0.870 124 2HB GLU 18 2HB GLU 18 -7.734 0.613 -2.611 125 2HG GLU 18 2HG GLU 18 -10.107 1.571 -3.241 126 H ALA 19 H ALA 19 -6.477 0.583 0.801 127 HA ALA 19 HA ALA 19 -4.584 -1.359 -0.333 128 1HB ALA 19 1HB ALA 19 -3.761 0.712 0.667 129 2HB ALA 19 2HB ALA 19 -4.462 0.237 2.238 130 3HB ALA 19 3HB ALA 19 -3.149 -0.714 1.499 131 H CYS 20 H CYS 20 -6.757 -1.265 2.590 132 HA CYS 20 HA CYS 20 -5.978 -3.891 3.415 133 2HB CYS 20 2HB CYS 20 -8.691 -2.590 3.855 134 HG CYS 20 HG CYS 20 -8.692 -3.923 6.243 135 H ASP 21 H ASP 21 -8.745 -2.912 1.361 136 HA ASP 21 HA ASP 21 -9.581 -5.546 0.785 137 2HB ASP 21 2HB ASP 21 -9.864 -3.280 -1.204 138 H TRP 22 H TRP 22 -7.223 -3.498 -1.048 139 HA TRP 22 HA TRP 22 -6.714 -5.450 -3.088 140 2HB TRP 22 2HB TRP 22 -4.947 -3.213 -2.055 141 HD1 TRP 22 HD TRP 22 -5.764 -3.358 -5.657 142 HE1 TRP 22 1HE TRP 22 -3.744 -4.052 -7.077 143 HE3 TRP 22 3HE TRP 22 -2.539 -4.794 -1.927 144 HZ2 TRP 22 2HZ TRP 22 -1.274 -5.352 -6.686 145 HZ3 TRP 22 3HZ TRP 22 -0.369 -5.856 -2.502 146 HH2 TRP 22 HH TRP 22 0.258 -6.182 -4.877 147 H LEU 23 H LEU 23 -4.798 -4.677 -0.081 148 HA LEU 23 HA LEU 23 -2.811 -6.670 -0.590 149 2HB LEU 23 2HB LEU 23 -2.355 -6.459 1.896 150 HG LEU 23 HG LEU 23 -2.544 -3.926 0.220 151 1HD1 LEU 23 1HD1 LEU 23 -2.738 -3.205 2.548 152 2HD1 LEU 23 2HD1 LEU 23 -1.376 -4.241 3.005 153 3HD1 LEU 23 3HD1 LEU 23 -1.110 -2.866 1.920 154 1HD2 LEU 23 1HD2 LEU 23 -0.131 -5.448 1.271 155 2HD2 LEU 23 2HD2 LEU 23 -0.816 -5.682 -0.338 156 3HD2 LEU 23 3HD2 LEU 23 -0.157 -4.104 0.123 157 H ARG 24 H ARG 24 -5.845 -6.865 1.305 158 HA ARG 24 HA ARG 24 -5.709 -9.623 2.023 159 2HB ARG 24 2HB ARG 24 -8.085 -7.853 1.336 160 2HG ARG 24 2HG ARG 24 -8.313 -9.915 3.477 161 2HD ARG 24 2HD ARG 24 -10.066 -8.587 1.443 162 HE ARG 24 HE ARG 24 -10.927 -10.546 0.697 163 1HH1 ARG 24 1HH2 ARG 24 -10.368 -11.037 4.120 164 2HH1 ARG 24 2HH2 ARG 24 -10.960 -12.676 4.071 165 1HH2 ARG 24 1HH1 ARG 24 -11.639 -12.633 0.697 166 2HH2 ARG 24 2HH1 ARG 24 -11.672 -13.547 2.176 167 H ALA 25 H ALA 25 -7.294 -8.172 -0.903 168 HA ALA 25 HA ALA 25 -8.020 -10.689 -2.030 169 1HB ALA 25 1HB ALA 25 -9.113 -8.562 -2.598 170 2HB ALA 25 2HB ALA 25 -7.616 -7.979 -3.365 171 3HB ALA 25 3HB ALA 25 -8.494 -9.361 -4.054 172 H THR 26 H THR 26 -5.072 -8.750 -2.452 173 HA THR 26 HA THR 26 -3.858 -10.301 -4.527 174 HB THR 26 HB THR 26 -2.766 -8.414 -2.413 175 HG1 THR 26 1HG THR 26 -2.713 -7.057 -4.161 176 1HG2 THR 26 1HG2 THR 26 -0.933 -9.986 -3.245 177 2HG2 THR 26 2HG2 THR 26 -1.258 -9.375 -4.879 178 3HG2 THR 26 3HG2 THR 26 -0.690 -8.280 -3.597 179 H GLY 27 H GLY 27 -3.472 -10.429 -0.940 180 1HA GLY 27 2HA GLY 27 -3.525 -13.019 -0.390 181 2HA GLY 27 3HA GLY 27 -1.945 -12.990 -1.184 182 H PHE 28 H PHE 28 -2.827 -10.248 0.832 183 HA PHE 28 HA PHE 28 -0.966 -11.148 2.974 184 2HB PHE 28 2HB PHE 28 0.312 -9.152 2.725 185 HD1 PHE 28 2HD PHE 28 1.798 -11.147 2.277 186 HD2 PHE 28 1HD PHE 28 -0.359 -9.084 -0.840 187 HE1 PHE 28 2HE PHE 28 3.316 -12.136 0.571 188 HE2 PHE 28 1HE PHE 28 1.181 -10.068 -2.542 189 HZ PHE 28 HZ PHE 28 2.977 -11.614 -1.843 190 HA PRO 29 HA PRO 29 -4.590 -8.602 4.583 191 2HB PRO 29 2HB PRO 29 -6.037 -10.336 4.838 192 2HG PRO 29 2HG PRO 29 -5.275 -12.556 4.958 193 2HD PRO 29 2HD PRO 29 -3.962 -11.858 3.173 194 H GLN 30 H GLN 30 -1.722 -10.017 5.921 195 HA GLN 30 HA GLN 30 -1.682 -8.646 8.457 196 2HB GLN 30 2HB GLN 30 0.483 -9.878 6.706 197 2HG GLN 30 2HG GLN 30 1.640 -8.342 8.223 198 1HE2 GLN 30 2HE2 GLN 30 0.488 -6.960 9.710 199 2HE2 GLN 30 1HE2 GLN 30 0.184 -7.485 11.361 200 H TYR 31 H TYR 31 -0.334 -7.681 5.214 201 HA TYR 31 HA TYR 31 1.186 -5.474 6.248 202 2HB TYR 31 2HB TYR 31 0.872 -4.617 3.864 203 HD1 TYR 31 1HD TYR 31 3.203 -5.694 5.472 204 HD2 TYR 31 2HD TYR 31 1.180 -7.209 1.979 205 HE1 TYR 31 1HE TYR 31 5.227 -6.999 4.852 206 HE2 TYR 31 2HE TYR 31 3.160 -8.582 1.420 207 HH TYR 31 HH TYR 31 5.292 -9.134 1.963 208 H ALA 32 H ALA 32 -2.169 -5.664 5.099 209 HA ALA 32 HA ALA 32 -2.861 -2.903 5.372 210 1HB ALA 32 1HB ALA 32 -4.171 -4.643 4.192 211 2HB ALA 32 2HB ALA 32 -4.543 -5.429 5.739 212 3HB ALA 32 3HB ALA 32 -5.140 -3.789 5.427 213 H GLN 33 H GLN 33 -2.674 -5.565 7.710 214 HA GLN 33 HA GLN 33 -3.891 -4.097 9.873 215 2HB GLN 33 2HB GLN 33 -2.126 -6.414 10.510 216 2HG GLN 33 2HG GLN 33 -3.843 -5.459 12.084 217 1HE2 GLN 33 2HE2 GLN 33 -6.231 -6.003 12.786 218 2HE2 GLN 33 1HE2 GLN 33 -7.409 -5.585 11.544 219 H LEU 34 H LEU 34 -0.519 -4.707 8.884 220 HA LEU 34 HA LEU 34 0.811 -3.443 11.102 221 2HB LEU 34 2HB LEU 34 2.462 -2.957 9.083 222 HG LEU 34 HG LEU 34 1.933 -5.504 10.522 223 1HD1 LEU 34 1HD1 LEU 34 2.443 -6.248 8.200 224 2HD1 LEU 34 2HD1 LEU 34 3.932 -5.304 8.227 225 3HD1 LEU 34 3HD1 LEU 34 3.738 -6.672 9.335 226 1HD2 LEU 34 1HD2 LEU 34 4.556 -4.018 10.139 227 2HD2 LEU 34 2HD2 LEU 34 3.381 -3.548 11.383 228 3HD2 LEU 34 3HD2 LEU 34 4.126 -5.159 11.419 229 H TYR 35 H TYR 35 -0.603 -2.077 8.097 230 HA TYR 35 HA TYR 35 0.031 0.657 8.876 231 2HB TYR 35 2HB TYR 35 -1.869 -0.515 6.841 232 HD1 TYR 35 1HD TYR 35 0.233 2.554 6.663 233 HD2 TYR 35 2HD TYR 35 -3.772 0.988 7.049 234 HE1 TYR 35 1HE TYR 35 -0.698 4.739 5.938 235 HE2 TYR 35 2HE TYR 35 -4.687 3.179 6.357 236 HH TYR 35 HH TYR 35 -4.223 5.286 5.587 237 H GLU 36 H GLU 36 -3.100 -1.227 8.970 238 HA GLU 36 HA GLU 36 -4.593 0.804 10.253 239 2HB GLU 36 2HB GLU 36 -4.887 -2.208 10.215 240 2HG GLU 36 2HG GLU 36 -6.767 -0.122 11.369 241 H ASP 37 H ASP 37 -2.283 -1.414 11.751 242 HA ASP 37 HA ASP 37 -2.896 -1.037 14.481 243 2HB ASP 37 2HB ASP 37 -0.180 -1.154 14.536 244 H PHE 38 H PHE 38 -0.625 0.997 12.515 245 HA PHE 38 HA PHE 38 -1.358 3.361 13.999 246 2HB PHE 38 2HB PHE 38 1.508 3.028 14.576 247 HD1 PHE 38 1HD PHE 38 0.443 5.486 14.961 248 HD2 PHE 38 2HD PHE 38 -0.478 1.996 17.335 249 HE1 PHE 38 1HE PHE 38 -0.513 6.937 16.721 250 HE2 PHE 38 2HE PHE 38 -1.407 3.463 19.112 251 HZ PHE 38 HZ PHE 38 -1.435 5.937 18.808 252 H LEU 39 H LEU 39 -0.748 2.358 11.180 253 HA LEU 39 HA LEU 39 0.216 2.906 9.252 254 2HB LEU 39 2HB LEU 39 0.300 5.076 8.569 255 HG LEU 39 HG LEU 39 -1.337 5.506 11.101 256 1HD1 LEU 39 1HD1 LEU 39 -0.650 7.571 9.996 257 2HD1 LEU 39 2HD1 LEU 39 -1.305 6.994 8.453 258 3HD1 LEU 39 3HD1 LEU 39 -2.392 7.311 9.820 259 1HD2 LEU 39 1HD2 LEU 39 -2.523 4.959 8.391 260 2HD2 LEU 39 2HD2 LEU 39 -2.209 3.640 9.525 261 3HD2 LEU 39 3HD2 LEU 39 -3.313 4.953 9.965 262 H PHE 40 H PHE 40 1.929 1.504 9.308 263 HA PHE 40 HA PHE 40 4.446 2.195 10.592 264 2HB PHE 40 2HB PHE 40 3.418 -0.068 10.670 265 HD1 PHE 40 1HD PHE 40 2.150 0.383 7.845 266 HD2 PHE 40 2HD PHE 40 5.433 -2.037 9.257 267 HE1 PHE 40 1HE PHE 40 1.826 -1.162 5.949 268 HE2 PHE 40 2HE PHE 40 5.138 -3.548 7.312 269 HZ PHE 40 HZ PHE 40 3.317 -3.128 5.663 270 HA PRO 41 HA PRO 41 6.107 3.590 6.567 271 2HB PRO 41 2HB PRO 41 6.242 5.659 7.560 272 2HG PRO 41 2HG PRO 41 6.893 5.918 9.811 273 2HD PRO 41 2HD PRO 41 5.321 4.298 10.252 274 H ILE 42 H ILE 42 6.761 1.274 6.282 275 HA ILE 42 HA ILE 42 9.550 0.650 7.044 276 HB ILE 42 HB ILE 42 9.269 -1.499 6.340 277 2HG1 ILE 42 2HG1 ILE 42 8.609 -1.766 4.230 278 1HG2 ILE 42 1HG2 ILE 42 7.908 -0.821 8.303 279 2HG2 ILE 42 2HG2 ILE 42 6.502 -0.716 7.222 280 3HG2 ILE 42 3HG2 ILE 42 7.332 -2.276 7.481 281 1HD1 ILE 42 1HD1 ILE 42 6.873 -3.205 5.365 282 2HD1 ILE 42 2HD1 ILE 42 5.749 -1.814 5.226 283 3HD1 ILE 42 3HD1 ILE 42 6.411 -2.556 3.786 284 H ASP 43 H ASP 43 10.982 -0.283 5.324 285 HA ASP 43 HA ASP 43 11.059 1.499 2.937 286 2HB ASP 43 2HB ASP 43 13.189 -0.341 4.085 287 H ILE 44 H ILE 44 10.394 0.704 1.041 288 HA ILE 44 HA ILE 44 9.615 -2.002 0.516 289 HB ILE 44 HB ILE 44 10.493 0.185 -1.408 290 2HG1 ILE 44 2HG1 ILE 44 8.178 0.666 -1.752 291 1HG2 ILE 44 1HG2 ILE 44 10.674 -1.886 -2.614 292 2HG2 ILE 44 2HG2 ILE 44 9.150 -2.496 -1.946 293 3HG2 ILE 44 3HG2 ILE 44 9.158 -1.147 -3.104 294 1HD1 ILE 44 1HD1 ILE 44 7.157 -1.617 -1.302 295 2HD1 ILE 44 2HD1 ILE 44 7.387 -1.303 0.433 296 3HD1 ILE 44 3HD1 ILE 44 6.351 -0.240 -0.554 297 H SER 45 H SER 45 12.824 -0.429 0.375 298 HA SER 45 HA SER 45 14.143 -2.511 -1.079 299 2HB SER 45 2HB SER 45 15.881 -1.372 0.955 300 HG SER 45 HG SER 45 16.732 -0.419 -1.035 301 H LEU 46 H LEU 46 13.050 -2.449 2.276 302 HA LEU 46 HA LEU 46 14.460 -4.969 2.903 303 2HB LEU 46 2HB LEU 46 13.697 -2.820 4.446 304 HG LEU 46 HG LEU 46 11.309 -3.774 4.727 305 1HD1 LEU 46 1HD1 LEU 46 11.796 -6.201 4.961 306 2HD1 LEU 46 2HD1 LEU 46 12.876 -5.856 6.325 307 3HD1 LEU 46 3HD1 LEU 46 11.126 -5.571 6.458 308 1HD2 LEU 46 1HD2 LEU 46 13.103 -3.489 7.160 309 2HD2 LEU 46 2HD2 LEU 46 12.351 -2.157 6.264 310 3HD2 LEU 46 3HD2 LEU 46 11.339 -3.316 7.134 311 H VAL 47 H VAL 47 11.093 -3.840 2.347 312 HA VAL 47 HA VAL 47 9.950 -6.447 2.666 313 HB VAL 47 HB VAL 47 9.026 -3.775 2.029 314 1HG1 VAL 47 1HG1 VAL 47 8.533 -4.573 -0.228 315 2HG1 VAL 47 2HG1 VAL 47 7.590 -5.943 0.450 316 3HG1 VAL 47 3HG1 VAL 47 7.072 -4.273 0.664 317 1HG2 VAL 47 1HG2 VAL 47 7.660 -6.298 3.049 318 2HG2 VAL 47 2HG2 VAL 47 8.477 -5.055 4.029 319 3HG2 VAL 47 3HG2 VAL 47 7.004 -4.663 3.144 320 H LYS 48 H LYS 48 11.261 -4.911 -0.220 321 HA LYS 48 HA LYS 48 10.568 -6.934 -2.126 322 2HB LYS 48 2HB LYS 48 12.845 -4.934 -1.914 323 2HG LYS 48 2HG LYS 48 12.039 -5.534 -4.654 324 2HD LYS 48 2HD LYS 48 14.520 -5.962 -4.892 325 2HE LYS 48 2HE LYS 48 13.539 -3.439 -3.494 326 1HZ LYS 48 1HZ LYS 48 15.919 -3.606 -3.104 327 2HZ LYS 48 2HZ LYS 48 16.219 -3.934 -4.678 328 3HZ LYS 48 3HZ LYS 48 15.656 -2.467 -4.238 329 H ARG 49 H ARG 49 13.096 -6.818 0.351 330 HA ARG 49 HA ARG 49 14.496 -9.167 -0.647 331 2HB ARG 49 2HB ARG 49 14.531 -8.506 2.281 332 2HG ARG 49 2HG ARG 49 16.714 -8.862 0.160 333 2HD ARG 49 2HD ARG 49 17.847 -9.617 2.481 334 HE ARG 49 HE ARG 49 18.070 -7.210 0.952 335 1HH1 ARG 49 1HH2 ARG 49 18.874 -8.389 4.139 336 2HH1 ARG 49 2HH2 ARG 49 20.328 -7.434 4.248 337 1HH2 ARG 49 1HH1 ARG 49 19.972 -6.016 1.129 338 2HH2 ARG 49 2HH1 ARG 49 20.921 -6.122 2.583 339 H GLU 50 H GLU 50 11.722 -8.681 1.471 340 HA GLU 50 HA GLU 50 11.196 -11.548 1.830 341 2HB GLU 50 2HB GLU 50 8.931 -10.553 2.683 342 2HG GLU 50 2HG GLU 50 9.984 -9.646 4.780 343 H HIS 51 H HIS 51 11.242 -9.987 -0.968 344 HA HIS 51 HA HIS 51 8.969 -11.570 -2.067 345 1HB HIS 51 2HB HIS 51 8.204 -9.803 -3.117 346 2HB HIS 51 3HB HIS 51 9.380 -8.789 -2.298 347 HD1 HIS 51 1HD HIS 51 11.905 -8.886 -3.799 348 HD2 HIS 51 2HD HIS 51 8.262 -9.636 -5.720 349 HE1 HIS 51 1HE HIS 51 12.339 -8.553 -6.299 350 H ASP 52 H ASP 52 12.178 -11.876 -1.680 351 HA ASP 52 HA ASP 52 13.389 -12.327 -4.120 352 2HB ASP 52 2HB ASP 52 13.631 -13.443 -1.362 353 H PHE 53 H PHE 53 10.885 -14.382 -2.770 354 HA PHE 53 HA PHE 53 11.130 -16.425 -4.898 355 2HB PHE 53 2HB PHE 53 10.814 -17.244 -2.690 356 HD1 PHE 53 1HD PHE 53 7.268 -16.191 -2.984 357 HD2 PHE 53 2HD PHE 53 10.973 -15.676 -0.823 358 HE1 PHE 53 1HE PHE 53 6.064 -14.942 -1.201 359 HE2 PHE 53 2HE PHE 53 9.763 -14.406 0.939 360 HZ PHE 53 HZ PHE 53 7.313 -14.029 0.748 361 H LEU 54 H LEU 54 9.355 -13.528 -4.388 362 HA LEU 54 HA LEU 54 7.083 -14.184 -6.174 363 2HB LEU 54 2HB LEU 54 6.384 -11.876 -5.661 364 HG LEU 54 HG LEU 54 7.063 -13.226 -3.060 365 1HD1 LEU 54 1HD1 LEU 54 6.349 -10.855 -2.835 366 2HD1 LEU 54 2HD1 LEU 54 4.884 -11.219 -3.772 367 3HD1 LEU 54 3HD1 LEU 54 5.161 -11.977 -2.179 368 1HD2 LEU 54 1HD2 LEU 54 4.584 -13.487 -4.826 369 2HD2 LEU 54 2HD2 LEU 54 5.739 -14.783 -4.447 370 3HD2 LEU 54 3HD2 LEU 54 4.722 -14.110 -3.172 371 H ASP 55 H ASP 55 6.676 -12.134 -7.724 372 HA ASP 55 HA ASP 55 8.979 -12.016 -9.612 373 2HB ASP 55 2HB ASP 55 7.122 -11.107 -11.126 374 H ARG 56 H ARG 56 9.593 -10.013 -10.642 375 HA ARG 56 HA ARG 56 9.764 -7.681 -9.030 376 2HB ARG 56 2HB ARG 56 10.229 -6.462 -11.186 377 2HG ARG 56 2HG ARG 56 11.712 -9.113 -10.931 378 2HD ARG 56 2HD ARG 56 12.504 -6.424 -12.135 379 HE ARG 56 HE ARG 56 14.240 -8.280 -11.054 380 1HH1 ARG 56 1HH2 ARG 56 13.737 -7.149 -14.335 381 2HH1 ARG 56 2HH2 ARG 56 15.388 -7.463 -14.793 382 1HH2 ARG 56 1HH1 ARG 56 16.328 -8.645 -11.698 383 2HH2 ARG 56 2HH1 ARG 56 16.818 -8.284 -13.328 384 H ASP 57 H ASP 57 7.308 -8.489 -11.476 385 HA ASP 57 HA ASP 57 5.737 -6.108 -11.178 386 2HB ASP 57 2HB ASP 57 4.978 -8.939 -11.994 387 H ALA 58 H ALA 58 5.776 -9.148 -9.265 388 HA ALA 58 HA ALA 58 3.399 -8.533 -7.745 389 1HB ALA 58 1HB ALA 58 4.394 -10.826 -7.893 390 2HB ALA 58 2HB ALA 58 5.764 -10.235 -6.918 391 3HB ALA 58 3HB ALA 58 4.140 -10.261 -6.228 392 H ILE 59 H ILE 59 6.924 -7.764 -7.262 393 HA ILE 59 HA ILE 59 6.287 -6.265 -4.862 394 HB ILE 59 HB ILE 59 8.718 -6.891 -6.229 395 2HG1 ILE 59 2HG1 ILE 59 9.643 -6.582 -4.040 396 1HG2 ILE 59 1HG2 ILE 59 8.921 -4.646 -7.101 397 2HG2 ILE 59 2HG2 ILE 59 8.608 -3.942 -5.496 398 3HG2 ILE 59 3HG2 ILE 59 10.071 -4.895 -5.790 399 1HD1 ILE 59 1HD1 ILE 59 8.747 -4.454 -3.223 400 2HD1 ILE 59 2HD1 ILE 59 7.098 -5.119 -3.192 401 3HD1 ILE 59 3HD1 ILE 59 8.334 -5.769 -2.114 402 H GLU 60 H GLU 60 6.656 -5.166 -8.317 403 HA GLU 60 HA GLU 60 6.211 -2.424 -7.614 404 2HB GLU 60 2HB GLU 60 5.394 -2.170 -9.973 405 2HG GLU 60 2HG GLU 60 7.942 -3.743 -10.159 406 H ALA 61 H ALA 61 3.874 -5.014 -8.150 407 HA ALA 61 HA ALA 61 1.494 -3.427 -7.893 408 1HB ALA 61 1HB ALA 61 1.696 -5.678 -8.960 409 2HB ALA 61 2HB ALA 61 2.004 -6.394 -7.361 410 3HB ALA 61 3HB ALA 61 0.451 -5.632 -7.731 411 H LEU 62 H LEU 62 3.248 -5.515 -5.494 412 HA LEU 62 HA LEU 62 1.552 -4.841 -3.288 413 2HB LEU 62 2HB LEU 62 4.451 -5.744 -3.159 414 HG LEU 62 HG LEU 62 2.325 -7.147 -1.576 415 1HD1 LEU 62 1HD1 LEU 62 4.598 -7.943 -1.505 416 2HD1 LEU 62 2HD1 LEU 62 5.228 -6.316 -1.108 417 3HD1 LEU 62 3HD1 LEU 62 4.251 -7.196 0.065 418 1HD2 LEU 62 1HD2 LEU 62 3.378 -4.483 -0.636 419 2HD2 LEU 62 2HD2 LEU 62 1.691 -4.890 -0.997 420 3HD2 LEU 62 3HD2 LEU 62 2.507 -5.667 0.355 421 H CYS 63 H CYS 63 4.789 -3.610 -4.179 422 HA CYS 63 HA CYS 63 5.074 -1.487 -2.373 423 2HB CYS 63 2HB CYS 63 5.913 -1.719 -5.290 424 HG CYS 63 HG CYS 63 7.951 -0.079 -4.899 425 H ARG 64 H ARG 64 2.874 -1.618 -5.264 426 HA ARG 64 HA ARG 64 2.422 1.207 -5.258 427 2HB ARG 64 2HB ARG 64 0.293 -0.852 -5.994 428 2HG ARG 64 2HG ARG 64 0.953 2.039 -6.667 429 2HD ARG 64 2HD ARG 64 0.553 0.492 -8.739 430 HE ARG 64 HE ARG 64 -1.538 -0.504 -8.671 431 1HH1 ARG 64 1HH2 ARG 64 -1.942 2.733 -7.387 432 2HH1 ARG 64 2HH2 ARG 64 -3.675 2.671 -7.504 433 1HH2 ARG 64 1HH1 ARG 64 -3.748 -0.452 -8.946 434 2HH2 ARG 64 2HH1 ARG 64 -4.658 0.939 -8.440 435 H ARG 65 H ARG 65 0.776 -1.348 -3.394 436 HA ARG 65 HA ARG 65 -0.766 0.666 -1.854 437 2HB ARG 65 2HB ARG 65 -1.395 -1.336 -0.436 438 2HG ARG 65 2HG ARG 65 -2.894 -2.339 -1.960 439 2HD ARG 65 2HD ARG 65 -2.535 0.451 -3.116 440 HE ARG 65 HE ARG 65 -5.171 -0.628 -2.371 441 1HH1 ARG 65 1HH2 ARG 65 -2.918 -0.412 -5.046 442 2HH1 ARG 65 2HH2 ARG 65 -4.193 -0.523 -6.228 443 1HH2 ARG 65 1HH1 ARG 65 -6.721 -0.701 -3.910 444 2HH2 ARG 65 2HH1 ARG 65 -6.317 -0.576 -5.583 445 H LEU 66 H LEU 66 2.009 -1.507 -1.100 446 HA LEU 66 HA LEU 66 2.270 -0.454 1.526 447 2HB LEU 66 2HB LEU 66 4.856 -1.166 0.642 448 HG LEU 66 HG LEU 66 4.058 -1.753 2.821 449 1HD1 LEU 66 1HD1 LEU 66 1.765 -2.301 2.653 450 2HD1 LEU 66 2HD1 LEU 66 2.043 -3.500 1.368 451 3HD1 LEU 66 3HD1 LEU 66 2.598 -3.801 3.028 452 1HD2 LEU 66 1HD2 LEU 66 4.632 -4.202 1.094 453 2HD2 LEU 66 2HD2 LEU 66 5.803 -3.063 1.777 454 3HD2 LEU 66 3HD2 LEU 66 4.827 -4.093 2.843 455 H ASN 67 H ASN 67 3.811 0.841 -1.503 456 HA ASN 67 HA ASN 67 5.217 2.974 -0.266 457 2HB ASN 67 2HB ASN 67 3.761 2.938 -2.946 458 1HD2 ASN 67 2HD2 ASN 67 6.903 4.036 -3.199 459 2HD2 ASN 67 1HD2 ASN 67 6.518 5.752 -3.239 460 H THR 68 H THR 68 1.786 2.949 -1.459 461 HA THR 68 HA THR 68 1.033 5.477 -0.478 462 HB THR 68 HB THR 68 -0.484 2.908 -0.960 463 HG1 THR 68 1HG THR 68 -1.351 4.345 -2.562 464 1HG2 THR 68 1HG2 THR 68 -1.755 4.093 0.848 465 2HG2 THR 68 2HG2 THR 68 -1.771 5.548 -0.181 466 3HG2 THR 68 3HG2 THR 68 -2.563 4.031 -0.702 467 H LEU 69 H LEU 69 0.924 2.354 1.310 468 HA LEU 69 HA LEU 69 -0.086 3.553 3.724 469 2HB LEU 69 2HB LEU 69 0.564 1.336 4.729 470 HG LEU 69 HG LEU 69 -0.780 0.973 2.019 471 1HD1 LEU 69 1HD1 LEU 69 -0.039 -1.105 2.892 472 2HD1 LEU 69 2HD1 LEU 69 -0.659 -0.759 4.511 473 3HD1 LEU 69 3HD1 LEU 69 -1.781 -1.016 3.181 474 1HD2 LEU 69 1HD2 LEU 69 -2.515 0.986 4.394 475 2HD2 LEU 69 2HD2 LEU 69 -1.904 2.575 3.890 476 3HD2 LEU 69 3HD2 LEU 69 -2.776 1.598 2.761 477 H ASN 70 H ASN 70 3.223 2.542 2.865 478 HA ASN 70 HA ASN 70 4.526 3.372 5.225 479 2HB ASN 70 2HB ASN 70 6.589 3.280 3.837 480 1HD2 ASN 70 2HD2 ASN 70 6.653 1.311 1.728 481 2HD2 ASN 70 1HD2 ASN 70 6.213 -0.215 2.493 482 H LYS 71 H LYS 71 3.796 5.137 2.216 483 HA LYS 71 HA LYS 71 5.069 7.629 2.943 484 2HB LYS 71 2HB LYS 71 2.847 6.971 0.955 485 2HG LYS 71 2HG LYS 71 4.231 9.197 0.025 486 2HD LYS 71 2HD LYS 71 2.148 10.512 0.821 487 2HE LYS 71 2HE LYS 71 1.841 8.011 -0.902 488 1HZ LYS 71 1HZ LYS 71 -0.322 8.922 -0.344 489 2HZ LYS 71 2HZ LYS 71 0.143 10.445 -0.710 490 3HZ LYS 71 3HZ LYS 71 0.012 9.327 -1.890 491 H CYS 72 H CYS 72 1.565 6.658 3.009 492 HA CYS 72 HA CYS 72 0.711 8.909 4.504 493 2HB CYS 72 2HB CYS 72 -1.230 7.383 5.122 494 HG CYS 72 HG CYS 72 -2.410 7.367 2.775 495 H ALA 73 H ALA 73 2.396 6.067 5.663 496 HA ALA 73 HA ALA 73 2.014 6.605 8.477 497 1HB ALA 73 1HB ALA 73 2.445 4.362 7.622 498 2HB ALA 73 2HB ALA 73 3.934 4.898 6.846 499 3HB ALA 73 3HB ALA 73 3.846 4.893 8.592 500 H VAL 74 H VAL 74 4.354 7.790 6.105 501 HA VAL 74 HA VAL 74 6.017 8.986 8.271 502 HB VAL 74 HB VAL 74 6.583 7.931 5.660 503 1HG1 VAL 74 1HG1 VAL 74 6.443 10.187 4.704 504 2HG1 VAL 74 2HG1 VAL 74 7.578 10.788 5.943 505 3HG1 VAL 74 3HG1 VAL 74 8.103 9.591 4.748 506 1HG2 VAL 74 1HG2 VAL 74 8.495 9.223 7.634 507 2HG2 VAL 74 2HG2 VAL 74 7.820 7.600 7.832 508 3HG2 VAL 74 3HG2 VAL 74 8.838 7.958 6.429 509 H MET 75 H MET 75 3.884 9.952 5.608 510 HA MET 75 HA MET 75 4.131 12.798 6.265 511 2HB MET 75 2HB MET 75 3.899 11.997 3.917 512 2HG MET 75 2HG MET 75 1.316 10.907 4.917 513 1HE MET 75 1HE MET 75 -0.712 12.336 4.824 514 2HE MET 75 2HE MET 75 0.290 13.776 4.531 515 3HE MET 75 3HE MET 75 -1.132 13.463 3.517 516 H LYS 76 H LYS 76 2.640 10.453 7.917 517 HA LYS 76 HA LYS 76 -0.021 11.037 8.281 518 2HB LYS 76 2HB LYS 76 1.211 9.099 9.196 519 2HG LYS 76 2HG LYS 76 3.013 10.524 10.426 520 2HD LYS 76 2HD LYS 76 1.479 10.022 12.917 521 2HE LYS 76 2HE LYS 76 3.244 12.185 11.756 522 1HZ LYS 76 1HZ LYS 76 1.499 13.356 12.901 523 2HZ LYS 76 2HZ LYS 76 1.671 12.445 14.254 524 3HZ LYS 76 3HZ LYS 76 2.866 13.460 13.782 Start of MODEL 8 1 1H MET 1 H MET 1 -3.209 17.042 -12.450 2 HA MET 1 HA MET 1 -3.391 15.045 -14.464 3 2HB MET 1 2HB MET 1 -2.573 13.316 -12.266 4 2HG MET 1 2HG MET 1 -1.501 13.831 -15.054 5 1HE MET 1 1HE MET 1 -0.254 11.653 -16.298 6 2HE MET 1 2HE MET 1 0.675 13.075 -15.768 7 3HE MET 1 3HE MET 1 1.310 11.444 -15.475 8 H CYS 2 H CYS 2 -5.533 15.546 -14.357 9 HA CYS 2 HA CYS 2 -7.646 15.806 -13.703 10 2HB CYS 2 2HB CYS 2 -8.653 14.015 -12.307 11 HG CYS 2 HG CYS 2 -8.270 11.935 -13.842 12 H ARG 3 H ARG 3 -8.482 17.454 -12.723 13 HA ARG 3 HA ARG 3 -7.711 18.195 -9.920 14 2HB ARG 3 2HB ARG 3 -9.020 20.381 -10.928 15 2HG ARG 3 2HG ARG 3 -6.099 19.579 -11.144 16 2HD ARG 3 2HD ARG 3 -7.498 22.107 -12.056 17 HE ARG 3 HE ARG 3 -5.136 22.138 -10.511 18 1HH1 ARG 3 1HH2 ARG 3 -6.107 23.297 -13.669 19 2HH1 ARG 3 2HH2 ARG 3 -5.071 24.696 -13.582 20 1HH2 ARG 3 1HH1 ARG 3 -3.854 23.964 -10.447 21 2HH2 ARG 3 2HH1 ARG 3 -3.832 25.056 -11.802 22 H LYS 4 H LYS 4 -9.284 19.036 -8.517 23 HA LYS 4 HA LYS 4 -10.977 18.369 -7.094 24 2HB LYS 4 2HB LYS 4 -13.311 18.960 -8.168 25 2HG LYS 4 2HG LYS 4 -11.276 21.184 -7.893 26 2HD LYS 4 2HD LYS 4 -14.265 20.894 -7.313 27 2HE LYS 4 2HE LYS 4 -12.376 23.246 -6.924 28 1HZ LYS 4 1HZ LYS 4 -14.526 23.956 -7.816 29 2HZ LYS 4 2HZ LYS 4 -15.337 23.124 -6.666 30 3HZ LYS 4 3HZ LYS 4 -14.412 24.404 -6.249 31 H LYS 5 H LYS 5 -10.074 16.170 -7.481 32 HA LYS 5 HA LYS 5 -11.409 14.139 -8.922 33 2HB LYS 5 2HB LYS 5 -10.443 12.599 -7.119 34 2HG LYS 5 2HG LYS 5 -8.635 14.650 -8.470 35 2HD LYS 5 2HD LYS 5 -6.909 12.910 -8.390 36 2HE LYS 5 2HE LYS 5 -7.569 13.219 -5.483 37 1HZ LYS 5 1HZ LYS 5 -5.297 12.747 -6.300 38 2HZ LYS 5 2HZ LYS 5 -5.277 14.159 -7.129 39 3HZ LYS 5 3HZ LYS 5 -5.337 14.172 -5.498 40 HA PRO 6 HA PRO 6 -15.290 13.836 -6.865 41 2HB PRO 6 2HB PRO 6 -16.068 12.651 -8.653 42 2HG PRO 6 2HG PRO 6 -14.681 11.194 -9.852 43 2HD PRO 6 2HD PRO 6 -13.164 12.937 -9.679 44 H ASP 7 H ASP 7 -15.315 13.868 -4.735 45 HA ASP 7 HA ASP 7 -14.954 13.427 -2.547 46 2HB ASP 7 2HB ASP 7 -15.568 11.002 -1.905 47 H THR 8 H THR 8 -12.562 13.878 -3.446 48 HA THR 8 HA THR 8 -10.565 11.939 -3.235 49 HB THR 8 HB THR 8 -10.288 14.278 -4.026 50 HG1 THR 8 1HG THR 8 -8.134 14.421 -3.094 51 1HG2 THR 8 1HG2 THR 8 -11.233 15.493 -2.050 52 2HG2 THR 8 2HG2 THR 8 -9.815 14.988 -1.097 53 3HG2 THR 8 3HG2 THR 8 -9.614 16.038 -2.512 54 H MET 9 H MET 9 -12.115 13.608 -0.497 55 HA MET 9 HA MET 9 -10.404 12.698 1.596 56 2HB MET 9 2HB MET 9 -13.395 13.293 1.574 57 2HG MET 9 2HG MET 9 -12.836 12.064 3.610 58 1HE MET 9 1HE MET 9 -12.198 12.898 6.397 59 2HE MET 9 2HE MET 9 -11.634 11.357 5.709 60 3HE MET 9 3HE MET 9 -10.508 12.389 6.615 61 H ILE 10 H ILE 10 -13.120 11.112 -0.052 62 HA ILE 10 HA ILE 10 -13.001 8.712 1.657 63 HB ILE 10 HB ILE 10 -14.645 9.461 -0.756 64 2HG1 ILE 10 2HG1 ILE 10 -14.994 10.281 1.827 65 1HG2 ILE 10 1HG2 ILE 10 -14.360 7.078 -0.961 66 2HG2 ILE 10 2HG2 ILE 10 -14.668 6.835 0.775 67 3HG2 ILE 10 3HG2 ILE 10 -15.970 7.372 -0.310 68 1HD1 ILE 10 1HD1 ILE 10 -16.473 11.044 0.109 69 2HD1 ILE 10 2HD1 ILE 10 -17.222 9.434 -0.060 70 3HD1 ILE 10 3HD1 ILE 10 -17.445 10.386 1.428 71 H LEU 11 H LEU 11 -11.870 9.717 -1.629 72 HA LEU 11 HA LEU 11 -11.006 7.273 -2.563 73 2HB LEU 11 2HB LEU 11 -9.564 9.895 -2.882 74 HG LEU 11 HG LEU 11 -8.093 8.130 -3.688 75 1HD1 LEU 11 1HD1 LEU 11 -9.641 6.259 -4.073 76 2HD1 LEU 11 2HD1 LEU 11 -10.452 7.170 -5.370 77 3HD1 LEU 11 3HD1 LEU 11 -8.767 6.636 -5.554 78 1HD2 LEU 11 1HD2 LEU 11 -9.585 9.466 -5.984 79 2HD2 LEU 11 2HD2 LEU 11 -8.315 10.224 -4.992 80 3HD2 LEU 11 3HD2 LEU 11 -7.922 8.839 -6.025 81 H THR 12 H THR 12 -9.282 9.281 -0.165 82 HA THR 12 HA THR 12 -7.075 7.514 0.306 83 HB THR 12 HB THR 12 -8.389 9.805 1.692 84 HG1 THR 12 1HG THR 12 -6.194 10.487 1.560 85 1HG2 THR 12 1HG2 THR 12 -8.016 8.473 3.669 86 2HG2 THR 12 2HG2 THR 12 -6.368 8.050 3.137 87 3HG2 THR 12 3HG2 THR 12 -6.781 9.725 3.573 88 H GLN 13 H GLN 13 -10.371 7.437 1.746 89 HA GLN 13 HA GLN 13 -9.726 5.250 3.587 90 2HB GLN 13 2HB GLN 13 -12.363 5.102 3.506 91 2HG GLN 13 2HG GLN 13 -11.086 7.570 4.728 92 1HE2 GLN 13 2HE2 GLN 13 -12.674 5.339 6.816 93 2HE2 GLN 13 1HE2 GLN 13 -14.230 6.153 6.856 94 H ILE 14 H ILE 14 -11.330 5.412 0.321 95 HA ILE 14 HA ILE 14 -11.608 2.520 0.268 96 HB ILE 14 HB ILE 14 -13.071 3.300 -1.241 97 2HG1 ILE 14 2HG1 ILE 14 -11.728 1.526 -2.262 98 1HG2 ILE 14 1HG2 ILE 14 -12.526 5.591 -1.346 99 2HG2 ILE 14 2HG2 ILE 14 -11.005 5.241 -2.236 100 3HG2 ILE 14 3HG2 ILE 14 -12.603 5.049 -2.990 101 1HD1 ILE 14 1HD1 ILE 14 -13.583 2.502 -3.675 102 2HD1 ILE 14 2HD1 ILE 14 -12.343 3.495 -4.492 103 3HD1 ILE 14 3HD1 ILE 14 -12.254 1.738 -4.578 104 H GLU 15 H GLU 15 -8.862 4.700 -0.718 105 HA GLU 15 HA GLU 15 -7.273 2.522 -1.682 106 2HB GLU 15 2HB GLU 15 -5.328 4.008 -0.963 107 2HG GLU 15 2HG GLU 15 -6.783 5.887 -2.601 108 H ALA 16 H ALA 16 -7.953 3.442 1.697 109 HA ALA 16 HA ALA 16 -6.098 1.552 2.857 110 1HB ALA 16 1HB ALA 16 -7.260 3.405 4.130 111 2HB ALA 16 2HB ALA 16 -8.764 2.474 4.028 112 3HB ALA 16 3HB ALA 16 -7.393 1.794 4.877 113 H LYS 17 H LYS 17 -9.669 1.279 2.243 114 HA LYS 17 HA LYS 17 -9.730 -1.492 2.915 115 2HB LYS 17 2HB LYS 17 -11.707 0.289 2.638 116 2HG LYS 17 2HG LYS 17 -11.876 -1.430 0.118 117 2HD LYS 17 2HD LYS 17 -13.953 0.607 0.887 118 2HE LYS 17 2HE LYS 17 -13.512 -1.660 -1.049 119 1HZ LYS 17 1HZ LYS 17 -15.468 -2.364 0.194 120 2HZ LYS 17 2HZ LYS 17 -16.222 -0.941 -0.098 121 3HZ LYS 17 3HZ LYS 17 -15.872 -1.959 -1.331 122 H GLU 18 H GLU 18 -9.195 0.028 -0.228 123 HA GLU 18 HA GLU 18 -9.303 -2.377 -1.818 124 2HB GLU 18 2HB GLU 18 -7.537 -0.886 -3.209 125 2HG GLU 18 2HG GLU 18 -10.078 0.472 -3.460 126 H ALA 19 H ALA 19 -6.560 -0.698 -0.117 127 HA ALA 19 HA ALA 19 -4.705 -2.750 -0.954 128 1HB ALA 19 1HB ALA 19 -4.094 -0.476 -0.046 129 2HB ALA 19 2HB ALA 19 -4.601 -1.099 1.554 130 3HB ALA 19 3HB ALA 19 -3.253 -1.858 0.668 131 H CYS 20 H CYS 20 -6.881 -2.457 1.979 132 HA CYS 20 HA CYS 20 -6.025 -4.888 3.131 133 2HB CYS 20 2HB CYS 20 -8.246 -4.942 4.249 134 HG CYS 20 HG CYS 20 -8.151 -2.725 5.662 135 H ASP 21 H ASP 21 -8.717 -4.472 0.793 136 HA ASP 21 HA ASP 21 -9.292 -7.260 0.582 137 2HB ASP 21 2HB ASP 21 -9.870 -5.394 -1.707 138 H TRP 22 H TRP 22 -7.197 -5.126 -1.414 139 HA TRP 22 HA TRP 22 -6.452 -7.093 -3.359 140 2HB TRP 22 2HB TRP 22 -4.929 -4.626 -2.465 141 HD1 TRP 22 HD TRP 22 -5.736 -5.167 -6.050 142 HE1 TRP 22 1HE TRP 22 -3.646 -5.732 -7.429 143 HE3 TRP 22 3HE TRP 22 -2.375 -5.868 -2.236 144 HZ2 TRP 22 2HZ TRP 22 -0.980 -6.632 -6.938 145 HZ3 TRP 22 3HZ TRP 22 -0.077 -6.667 -2.735 146 HH2 TRP 22 HH TRP 22 0.617 -7.098 -5.068 147 H LEU 23 H LEU 23 -4.629 -5.900 -0.444 148 HA LEU 23 HA LEU 23 -2.461 -7.725 -0.736 149 2HB LEU 23 2HB LEU 23 -2.027 -7.208 1.678 150 HG LEU 23 HG LEU 23 -2.591 -4.866 -0.169 151 1HD1 LEU 23 1HD1 LEU 23 -2.881 -4.033 2.136 152 2HD1 LEU 23 2HD1 LEU 23 -1.329 -4.744 2.584 153 3HD1 LEU 23 3HD1 LEU 23 -1.382 -3.433 1.399 154 1HD2 LEU 23 1HD2 LEU 23 0.019 -5.917 0.963 155 2HD2 LEU 23 2HD2 LEU 23 -0.629 -6.398 -0.607 156 3HD2 LEU 23 3HD2 LEU 23 -0.207 -4.701 -0.300 157 H ARG 24 H ARG 24 -5.524 -8.065 1.115 158 HA ARG 24 HA ARG 24 -5.132 -10.730 2.062 159 2HB ARG 24 2HB ARG 24 -7.640 -9.238 1.225 160 2HG ARG 24 2HG ARG 24 -7.819 -11.167 3.465 161 2HD ARG 24 2HD ARG 24 -9.545 -10.132 1.268 162 HE ARG 24 HE ARG 24 -10.255 -12.148 0.533 163 1HH1 ARG 24 1HH2 ARG 24 -9.535 -12.655 3.925 164 2HH1 ARG 24 2HH2 ARG 24 -9.894 -14.357 3.836 165 1HH2 ARG 24 1HH1 ARG 24 -10.692 -14.313 0.490 166 2HH2 ARG 24 2HH1 ARG 24 -10.551 -15.262 1.941 167 H ALA 25 H ALA 25 -6.839 -9.715 -0.974 168 HA ALA 25 HA ALA 25 -7.284 -12.387 -1.876 169 1HB ALA 25 1HB ALA 25 -8.632 -10.445 -2.569 170 2HB ALA 25 2HB ALA 25 -7.235 -9.764 -3.432 171 3HB ALA 25 3HB ALA 25 -7.965 -11.287 -3.976 172 H THR 26 H THR 26 -4.581 -10.183 -2.440 173 HA THR 26 HA THR 26 -3.210 -11.666 -4.480 174 HB THR 26 HB THR 26 -2.359 -9.540 -2.488 175 HG1 THR 26 1HG THR 26 -2.453 -8.279 -4.300 176 1HG2 THR 26 1HG2 THR 26 -0.344 -10.905 -3.178 177 2HG2 THR 26 2HG2 THR 26 -0.710 -10.485 -4.866 178 3HG2 THR 26 3HG2 THR 26 -0.306 -9.222 -3.678 179 H GLY 27 H GLY 27 -2.590 -11.445 -0.906 180 1HA GLY 27 2HA GLY 27 -2.180 -14.025 -0.236 181 2HA GLY 27 3HA GLY 27 -0.688 -13.710 -1.116 182 H PHE 28 H PHE 28 -1.956 -11.079 0.811 183 HA PHE 28 HA PHE 28 0.081 -11.517 2.934 184 2HB PHE 28 2HB PHE 28 1.024 -9.384 2.562 185 HD1 PHE 28 2HD PHE 28 2.768 -11.175 2.140 186 HD2 PHE 28 1HD PHE 28 0.280 -9.540 -0.974 187 HE1 PHE 28 2HE PHE 28 4.302 -12.105 0.424 188 HE2 PHE 28 1HE PHE 28 1.843 -10.442 -2.690 189 HZ PHE 28 HZ PHE 28 3.802 -11.772 -1.992 190 HA PRO 29 HA PRO 29 -3.903 -9.566 4.487 191 2HB PRO 29 2HB PRO 29 -5.038 -11.497 4.836 192 2HG PRO 29 2HG PRO 29 -3.930 -13.550 4.994 193 2HD PRO 29 2HD PRO 29 -2.692 -12.755 3.210 194 H GLN 30 H GLN 30 -0.824 -10.413 5.829 195 HA GLN 30 HA GLN 30 -0.970 -8.945 8.306 196 2HB GLN 30 2HB GLN 30 1.330 -9.889 6.560 197 2HG GLN 30 2HG GLN 30 2.242 -8.140 7.970 198 1HE2 GLN 30 2HE2 GLN 30 0.806 -6.892 9.380 199 2HE2 GLN 30 1HE2 GLN 30 0.642 -7.356 11.070 200 H TYR 31 H TYR 31 0.197 -7.961 4.991 201 HA TYR 31 HA TYR 31 1.294 -5.465 5.869 202 2HB TYR 31 2HB TYR 31 0.878 -4.828 3.432 203 HD1 TYR 31 1HD TYR 31 3.326 -5.450 5.139 204 HD2 TYR 31 2HD TYR 31 1.594 -7.405 1.709 205 HE1 TYR 31 1HE TYR 31 5.567 -6.287 4.461 206 HE2 TYR 31 2HE TYR 31 3.794 -8.353 1.124 207 HH TYR 31 HH TYR 31 6.020 -8.359 1.589 208 H ALA 32 H ALA 32 -1.949 -6.297 4.736 209 HA ALA 32 HA ALA 32 -3.187 -3.743 4.819 210 1HB ALA 32 1HB ALA 32 -4.207 -5.765 3.879 211 2HB ALA 32 2HB ALA 32 -4.214 -6.553 5.466 212 3HB ALA 32 3HB ALA 32 -5.236 -5.135 5.192 213 H GLN 33 H GLN 33 -2.713 -6.196 7.395 214 HA GLN 33 HA GLN 33 -3.927 -4.674 9.475 215 2HB GLN 33 2HB GLN 33 -1.896 -6.529 10.459 216 2HG GLN 33 2HG GLN 33 -3.848 -7.751 11.305 217 1HE2 GLN 33 2HE2 GLN 33 -2.495 -6.358 12.951 218 2HE2 GLN 33 1HE2 GLN 33 -3.350 -4.986 13.635 219 H LEU 34 H LEU 34 -0.512 -4.832 8.400 220 HA LEU 34 HA LEU 34 0.608 -3.295 10.555 221 2HB LEU 34 2HB LEU 34 2.209 -2.696 8.506 222 HG LEU 34 HG LEU 34 2.039 -5.188 10.119 223 1HD1 LEU 34 1HD1 LEU 34 2.718 -5.974 7.856 224 2HD1 LEU 34 2HD1 LEU 34 4.051 -4.820 7.858 225 3HD1 LEU 34 3HD1 LEU 34 4.028 -6.135 9.047 226 1HD2 LEU 34 1HD2 LEU 34 4.417 -3.367 9.717 227 2HD2 LEU 34 2HD2 LEU 34 3.137 -2.983 10.873 228 3HD2 LEU 34 3HD2 LEU 34 4.089 -4.466 11.049 229 H TYR 35 H TYR 35 -1.003 -2.249 7.541 230 HA TYR 35 HA TYR 35 -0.635 0.597 8.171 231 2HB TYR 35 2HB TYR 35 -2.444 -0.849 6.234 232 HD1 TYR 35 1HD TYR 35 -0.439 2.298 5.906 233 HD2 TYR 35 2HD TYR 35 -4.385 0.552 6.105 234 HE1 TYR 35 1HE TYR 35 -1.418 4.380 4.961 235 HE2 TYR 35 2HE TYR 35 -5.336 2.641 5.163 236 HH TYR 35 HH TYR 35 -4.907 4.691 4.225 237 H GLU 36 H GLU 36 -3.479 -1.681 8.343 238 HA GLU 36 HA GLU 36 -5.219 0.222 9.534 239 2HB GLU 36 2HB GLU 36 -6.484 -1.852 10.311 240 2HG GLU 36 2HG GLU 36 -6.638 -2.866 7.918 241 H ASP 37 H ASP 37 -2.590 -1.491 11.046 242 HA ASP 37 HA ASP 37 -3.215 -1.150 13.785 243 2HB ASP 37 2HB ASP 37 -0.540 -1.033 12.357 244 H PHE 38 H PHE 38 -1.314 1.094 11.663 245 HA PHE 38 HA PHE 38 -2.410 3.438 12.912 246 2HB PHE 38 2HB PHE 38 0.430 3.668 13.596 247 HD1 PHE 38 2HD PHE 38 -1.439 5.787 13.682 248 HD2 PHE 38 1HD PHE 38 -1.079 2.535 16.484 249 HE1 PHE 38 2HE PHE 38 -2.679 7.106 15.357 250 HE2 PHE 38 1HE PHE 38 -2.300 3.871 18.180 251 HZ PHE 38 HZ PHE 38 -3.121 6.149 17.609 252 H LEU 39 H LEU 39 -1.581 2.350 10.205 253 HA LEU 39 HA LEU 39 -0.639 2.885 8.272 254 2HB LEU 39 2HB LEU 39 -0.833 4.976 7.404 255 HG LEU 39 HG LEU 39 -2.521 5.543 9.871 256 1HD1 LEU 39 1HD1 LEU 39 -2.106 7.439 8.352 257 2HD1 LEU 39 2HD1 LEU 39 -2.714 6.487 6.982 258 3HD1 LEU 39 3HD1 LEU 39 -3.810 6.941 8.304 259 1HD2 LEU 39 1HD2 LEU 39 -3.607 4.287 7.351 260 2HD2 LEU 39 2HD2 LEU 39 -3.241 3.343 8.791 261 3HD2 LEU 39 3HD2 LEU 39 -4.459 4.617 8.855 262 H PHE 40 H PHE 40 1.224 1.721 8.487 263 HA PHE 40 HA PHE 40 3.600 2.785 9.789 264 2HB PHE 40 2HB PHE 40 2.793 0.454 10.034 265 HD1 PHE 40 1HD PHE 40 1.538 0.541 7.159 266 HD2 PHE 40 2HD PHE 40 5.079 -1.353 8.711 267 HE1 PHE 40 1HE PHE 40 1.434 -1.117 5.352 268 HE2 PHE 40 2HE PHE 40 4.989 -3.000 6.869 269 HZ PHE 40 HZ PHE 40 3.165 -2.886 5.184 270 HA PRO 41 HA PRO 41 5.172 4.088 5.714 271 2HB PRO 41 2HB PRO 41 5.103 6.221 6.535 272 2HG PRO 41 2HG PRO 41 5.613 6.703 8.766 273 2HD PRO 41 2HD PRO 41 4.256 4.939 9.308 274 H ILE 42 H ILE 42 6.055 1.898 5.503 275 HA ILE 42 HA ILE 42 8.901 1.590 6.265 276 HB ILE 42 HB ILE 42 8.821 -0.609 5.769 277 2HG1 ILE 42 2HG1 ILE 42 8.235 -1.164 3.701 278 1HG2 ILE 42 1HG2 ILE 42 7.351 0.089 7.649 279 2HG2 ILE 42 2HG2 ILE 42 5.969 -0.067 6.546 280 3HG2 ILE 42 3HG2 ILE 42 6.962 -1.491 6.958 281 1HD1 ILE 42 1HD1 ILE 42 6.580 -2.628 4.920 282 2HD1 ILE 42 2HD1 ILE 42 5.360 -1.353 4.638 283 3HD1 ILE 42 3HD1 ILE 42 6.106 -2.163 3.275 284 H ASP 43 H ASP 43 10.406 0.727 4.558 285 HA ASP 43 HA ASP 43 10.152 2.311 2.036 286 2HB ASP 43 2HB ASP 43 12.617 0.968 3.186 287 H ILE 44 H ILE 44 9.695 1.219 0.199 288 HA ILE 44 HA ILE 44 9.196 -1.595 -0.003 289 HB ILE 44 HB ILE 44 9.951 0.417 -2.154 290 2HG1 ILE 44 2HG1 ILE 44 7.610 0.657 -2.605 291 1HG2 ILE 44 1HG2 ILE 44 10.331 -1.753 -3.108 292 2HG2 ILE 44 2HG2 ILE 44 8.840 -2.409 -2.415 293 3HG2 ILE 44 3HG2 ILE 44 8.779 -1.198 -3.717 294 1HD1 ILE 44 1HD1 ILE 44 6.772 -1.623 -1.869 295 2HD1 ILE 44 2HD1 ILE 44 6.957 -1.077 -0.189 296 3HD1 ILE 44 3HD1 ILE 44 5.844 -0.234 -1.293 297 H SER 45 H SER 45 12.187 0.297 -0.346 298 HA SER 45 HA SER 45 13.839 -1.757 -1.439 299 2HB SER 45 2HB SER 45 15.205 -0.111 0.580 300 HG SER 45 HG SER 45 15.751 0.679 -1.828 301 H LEU 46 H LEU 46 13.275 -0.933 2.035 302 HA LEU 46 HA LEU 46 14.584 -3.229 3.141 303 2HB LEU 46 2HB LEU 46 12.689 -1.106 4.089 304 HG LEU 46 HG LEU 46 13.164 -3.656 5.690 305 1HD1 LEU 46 1HD1 LEU 46 14.107 -1.768 6.953 306 2HD1 LEU 46 2HD1 LEU 46 12.609 -0.833 6.712 307 3HD1 LEU 46 3HD1 LEU 46 12.602 -2.321 7.695 308 1HD2 LEU 46 1HD2 LEU 46 10.757 -1.885 5.074 309 2HD2 LEU 46 2HD2 LEU 46 10.904 -3.638 4.890 310 3HD2 LEU 46 3HD2 LEU 46 10.772 -2.952 6.480 311 H VAL 47 H VAL 47 11.135 -2.756 2.173 312 HA VAL 47 HA VAL 47 10.366 -5.327 3.159 313 HB VAL 47 HB VAL 47 9.067 -3.110 1.903 314 1HG1 VAL 47 1HG1 VAL 47 8.914 -4.373 -0.208 315 2HG1 VAL 47 2HG1 VAL 47 8.149 -5.734 0.668 316 3HG1 VAL 47 3HG1 VAL 47 7.354 -4.168 0.542 317 1HG2 VAL 47 1HG2 VAL 47 8.063 -5.628 3.284 318 2HG2 VAL 47 2HG2 VAL 47 8.486 -4.069 4.040 319 3HG2 VAL 47 3HG2 VAL 47 7.088 -4.190 2.958 320 H LYS 48 H LYS 48 11.393 -4.399 -0.106 321 HA LYS 48 HA LYS 48 11.133 -6.994 -1.328 322 2HB LYS 48 2HB LYS 48 12.751 -4.491 -1.897 323 2HG LYS 48 2HG LYS 48 12.403 -5.863 -4.342 324 2HD LYS 48 2HD LYS 48 14.912 -6.060 -4.277 325 2HE LYS 48 2HE LYS 48 13.645 -3.417 -3.417 326 1HZ LYS 48 1HZ LYS 48 16.062 -3.327 -3.195 327 2HZ LYS 48 2HZ LYS 48 16.270 -3.896 -4.717 328 3HZ LYS 48 3HZ LYS 48 15.591 -2.429 -4.479 329 H ARG 49 H ARG 49 13.881 -5.389 0.320 330 HA ARG 49 HA ARG 49 15.779 -7.540 -0.016 331 2HB ARG 49 2HB ARG 49 16.926 -6.403 1.946 332 2HG ARG 49 2HG ARG 49 16.048 -4.823 -0.487 333 2HD ARG 49 2HD ARG 49 18.188 -3.816 1.412 334 HE ARG 49 HE ARG 49 16.523 -2.030 -0.248 335 1HH1 ARG 49 1HH2 ARG 49 19.552 -3.790 -0.270 336 2HH1 ARG 49 2HH2 ARG 49 20.178 -2.832 -1.586 337 1HH2 ARG 49 1HH1 ARG 49 17.361 -0.864 -1.830 338 2HH2 ARG 49 2HH1 ARG 49 18.963 -1.191 -2.455 339 H GLU 50 H GLU 50 13.429 -6.862 2.587 340 HA GLU 50 HA GLU 50 14.098 -9.165 4.185 341 2HB GLU 50 2HB GLU 50 11.744 -8.707 5.143 342 2HG GLU 50 2HG GLU 50 12.398 -6.407 6.047 343 H HIS 51 H HIS 51 11.702 -8.747 1.527 344 HA HIS 51 HA HIS 51 10.773 -11.500 1.864 345 1HB HIS 51 2HB HIS 51 9.949 -9.194 0.225 346 2HB HIS 51 3HB HIS 51 9.894 -10.714 -0.648 347 HD1 HIS 51 1HD HIS 51 8.215 -12.610 0.267 348 HD2 HIS 51 2HD HIS 51 8.385 -9.054 2.495 349 HE1 HIS 51 1HE HIS 51 6.301 -12.736 1.938 350 H ASP 52 H ASP 52 12.402 -9.997 -0.932 351 HA ASP 52 HA ASP 52 13.311 -10.782 -2.764 352 2HB ASP 52 2HB ASP 52 15.081 -11.007 -0.777 353 H PHE 53 H PHE 53 11.974 -13.409 -0.975 354 HA PHE 53 HA PHE 53 12.176 -15.588 -2.711 355 2HB PHE 53 2HB PHE 53 9.966 -14.796 -0.761 356 HD1 PHE 53 2HD PHE 53 12.104 -17.819 -0.937 357 HD2 PHE 53 1HD PHE 53 8.173 -16.199 -1.626 358 HE1 PHE 53 2HE PHE 53 11.220 -20.115 -1.276 359 HE2 PHE 53 1HE PHE 53 7.286 -18.493 -1.971 360 HZ PHE 53 HZ PHE 53 8.812 -20.450 -1.804 361 H LEU 54 H LEU 54 9.837 -12.963 -2.669 362 HA LEU 54 HA LEU 54 8.005 -14.015 -4.681 363 2HB LEU 54 2HB LEU 54 6.998 -11.847 -4.551 364 HG LEU 54 HG LEU 54 7.961 -12.454 -1.747 365 1HD1 LEU 54 1HD1 LEU 54 7.220 -10.137 -1.996 366 2HD1 LEU 54 2HD1 LEU 54 5.717 -10.676 -2.773 367 3HD1 LEU 54 3HD1 LEU 54 6.042 -11.067 -1.066 368 1HD2 LEU 54 1HD2 LEU 54 5.383 -13.211 -3.186 369 2HD2 LEU 54 2HD2 LEU 54 6.674 -14.329 -2.702 370 3HD2 LEU 54 3HD2 LEU 54 5.734 -13.486 -1.465 371 H ASP 55 H ASP 55 7.662 -12.647 -6.749 372 HA ASP 55 HA ASP 55 10.246 -12.288 -8.152 373 2HB ASP 55 2HB ASP 55 8.664 -11.704 -10.089 374 H ARG 56 H ARG 56 10.730 -10.398 -9.384 375 HA ARG 56 HA ARG 56 10.473 -7.825 -8.206 376 2HB ARG 56 2HB ARG 56 12.128 -8.526 -9.941 377 2HG ARG 56 2HG ARG 56 9.937 -7.964 -11.969 378 2HD ARG 56 2HD ARG 56 12.370 -9.603 -12.556 379 HE ARG 56 HE ARG 56 11.324 -9.185 -14.587 380 1HH1 ARG 56 1HH2 ARG 56 11.429 -6.141 -12.850 381 2HH1 ARG 56 2HH2 ARG 56 10.837 -5.232 -14.212 382 1HH2 ARG 56 1HH1 ARG 56 10.592 -7.952 -16.301 383 2HH2 ARG 56 2HH1 ARG 56 10.390 -6.234 -16.112 384 H ASP 57 H ASP 57 8.320 -9.474 -10.472 385 HA ASP 57 HA ASP 57 6.578 -7.221 -10.949 386 2HB ASP 57 2HB ASP 57 5.530 -10.016 -11.207 387 H ALA 58 H ALA 58 6.572 -9.923 -8.617 388 HA ALA 58 HA ALA 58 4.039 -9.304 -7.381 389 1HB ALA 58 1HB ALA 58 5.163 -11.503 -7.138 390 2HB ALA 58 2HB ALA 58 6.491 -10.699 -6.273 391 3HB ALA 58 3HB ALA 58 4.867 -10.731 -5.562 392 H ILE 59 H ILE 59 7.472 -8.372 -6.573 393 HA ILE 59 HA ILE 59 6.631 -6.579 -4.498 394 HB ILE 59 HB ILE 59 9.186 -7.171 -5.839 395 2HG1 ILE 59 2HG1 ILE 59 10.027 -7.176 -3.596 396 1HG2 ILE 59 1HG2 ILE 59 9.282 -4.807 -6.353 397 2HG2 ILE 59 2HG2 ILE 59 8.820 -4.368 -4.696 398 3HG2 ILE 59 3HG2 ILE 59 10.372 -5.153 -5.018 399 1HD1 ILE 59 1HD1 ILE 59 8.953 -5.198 -2.552 400 2HD1 ILE 59 2HD1 ILE 59 7.381 -6.002 -2.601 401 3HD1 ILE 59 3HD1 ILE 59 8.681 -6.664 -1.603 402 H GLU 60 H GLU 60 7.034 -5.902 -8.032 403 HA GLU 60 HA GLU 60 6.474 -3.094 -7.733 404 2HB GLU 60 2HB GLU 60 5.656 -3.460 -10.207 405 2HG GLU 60 2HG GLU 60 8.268 -4.205 -10.666 406 H ALA 61 H ALA 61 4.262 -5.867 -8.224 407 HA ALA 61 HA ALA 61 1.853 -4.300 -8.363 408 1HB ALA 61 1HB ALA 61 2.164 -6.618 -9.246 409 2HB ALA 61 2HB ALA 61 2.274 -7.222 -7.578 410 3HB ALA 61 3HB ALA 61 0.774 -6.477 -8.173 411 H LEU 62 H LEU 62 3.415 -6.108 -5.680 412 HA LEU 62 HA LEU 62 1.634 -5.338 -3.581 413 2HB LEU 62 2HB LEU 62 4.531 -6.203 -3.693 414 HG LEU 62 HG LEU 62 4.361 -5.030 -1.607 415 1HD1 LEU 62 1HD1 LEU 62 1.925 -5.076 -1.218 416 2HD1 LEU 62 2HD1 LEU 62 1.980 -6.844 -1.003 417 3HD1 LEU 62 3HD1 LEU 62 2.801 -5.764 0.145 418 1HD2 LEU 62 1HD2 LEU 62 4.151 -8.034 -1.161 419 2HD2 LEU 62 2HD2 LEU 62 5.586 -7.220 -1.828 420 3HD2 LEU 62 3HD2 LEU 62 5.057 -6.829 -0.185 421 H CYS 63 H CYS 63 4.734 -3.880 -4.663 422 HA CYS 63 HA CYS 63 4.776 -1.616 -3.015 423 2HB CYS 63 2HB CYS 63 5.707 -2.005 -5.878 424 HG CYS 63 HG CYS 63 7.492 -0.084 -5.652 425 H ARG 64 H ARG 64 2.646 -2.150 -5.895 426 HA ARG 64 HA ARG 64 1.828 0.583 -6.032 427 2HB ARG 64 2HB ARG 64 -0.006 -1.796 -6.507 428 2HG ARG 64 2HG ARG 64 -0.067 1.099 -7.125 429 2HD ARG 64 2HD ARG 64 -1.415 0.089 -9.311 430 HE ARG 64 HE ARG 64 -0.259 1.938 -9.962 431 1HH1 ARG 64 1HH2 ARG 64 2.248 -0.249 -8.790 432 2HH1 ARG 64 2HH2 ARG 64 3.505 0.886 -9.178 433 1HH2 ARG 64 1HH1 ARG 64 1.397 3.290 -10.415 434 2HH2 ARG 64 2HH1 ARG 64 3.037 2.821 -10.085 435 H ARG 65 H ARG 65 0.513 -2.049 -4.003 436 HA ARG 65 HA ARG 65 -1.309 -0.177 -2.581 437 2HB ARG 65 2HB ARG 65 -1.804 -2.156 -1.154 438 2HG ARG 65 2HG ARG 65 -3.011 -3.457 -2.700 439 2HD ARG 65 2HD ARG 65 -2.757 -0.729 -4.039 440 HE ARG 65 HE ARG 65 -5.351 -2.008 -4.015 441 1HH1 ARG 65 1HH2 ARG 65 -2.394 -2.031 -5.874 442 2HH1 ARG 65 2HH2 ARG 65 -3.233 -2.243 -7.383 443 1HH2 ARG 65 1HH1 ARG 65 -6.381 -2.197 -5.976 444 2HH2 ARG 65 2HH1 ARG 65 -5.427 -2.381 -7.421 445 H LEU 66 H LEU 66 1.637 -2.014 -1.683 446 HA LEU 66 HA LEU 66 1.814 -0.844 0.878 447 2HB LEU 66 2HB LEU 66 4.439 -1.389 -0.187 448 HG LEU 66 HG LEU 66 3.923 -1.732 2.162 449 1HD1 LEU 66 1HD1 LEU 66 1.643 -2.494 2.233 450 2HD1 LEU 66 2HD1 LEU 66 2.001 -3.858 1.148 451 3HD1 LEU 66 3HD1 LEU 66 2.670 -3.802 2.796 452 1HD2 LEU 66 1HD2 LEU 66 4.589 -4.257 0.584 453 2HD2 LEU 66 2HD2 LEU 66 5.703 -2.984 1.131 454 3HD2 LEU 66 3HD2 LEU 66 4.894 -4.036 2.313 455 H ASN 67 H ASN 67 3.292 0.474 -2.196 456 HA ASN 67 HA ASN 67 4.437 2.778 -0.971 457 2HB ASN 67 2HB ASN 67 3.148 2.566 -3.723 458 1HD2 ASN 67 2HD2 ASN 67 6.073 3.614 -4.330 459 2HD2 ASN 67 1HD2 ASN 67 5.776 5.346 -4.298 460 H THR 68 H THR 68 1.070 2.374 -2.333 461 HA THR 68 HA THR 68 0.053 4.853 -1.472 462 HB THR 68 HB THR 68 -1.211 2.137 -1.862 463 HG1 THR 68 1HG THR 68 -2.192 3.405 -3.539 464 1HG2 THR 68 1HG2 THR 68 -2.629 3.182 -0.153 465 2HG2 THR 68 2HG2 THR 68 -2.720 4.667 -1.128 466 3HG2 THR 68 3HG2 THR 68 -3.410 3.127 -1.720 467 H LEU 69 H LEU 69 0.247 1.825 0.475 468 HA LEU 69 HA LEU 69 -0.907 3.033 2.817 469 2HB LEU 69 2HB LEU 69 -0.091 0.968 3.940 470 HG LEU 69 HG LEU 69 -1.211 0.060 1.276 471 1HD1 LEU 69 1HD1 LEU 69 -0.597 -1.601 3.041 472 2HD1 LEU 69 2HD1 LEU 69 -1.841 -0.859 4.064 473 3HD1 LEU 69 3HD1 LEU 69 -2.305 -1.615 2.578 474 1HD2 LEU 69 1HD2 LEU 69 -2.700 1.513 3.443 475 2HD2 LEU 69 2HD2 LEU 69 -2.595 1.960 1.739 476 3HD2 LEU 69 3HD2 LEU 69 -3.500 0.540 2.234 477 H ASN 70 H ASN 70 2.498 2.418 1.983 478 HA ASN 70 HA ASN 70 3.690 3.465 4.330 479 2HB ASN 70 2HB ASN 70 5.750 3.506 2.962 480 1HD2 ASN 70 2HD2 ASN 70 6.060 1.482 0.936 481 2HD2 ASN 70 1HD2 ASN 70 5.705 -0.048 1.726 482 H LYS 71 H LYS 71 2.754 4.976 1.274 483 HA LYS 71 HA LYS 71 3.859 7.607 1.799 484 2HB LYS 71 2HB LYS 71 1.778 6.607 -0.198 485 2HG LYS 71 2HG LYS 71 3.104 9.288 0.152 486 2HD LYS 71 2HD LYS 71 2.230 9.653 -2.283 487 2HE LYS 71 2HE LYS 71 4.808 8.169 -1.620 488 1HZ LYS 71 1HZ LYS 71 4.425 8.169 -4.009 489 2HZ LYS 71 2HZ LYS 71 4.129 9.779 -4.021 490 3HZ LYS 71 3HZ LYS 71 5.622 9.228 -3.660 491 H CYS 72 H CYS 72 0.427 6.363 1.836 492 HA CYS 72 HA CYS 72 -0.598 8.624 3.249 493 2HB CYS 72 2HB CYS 72 -2.454 7.057 3.862 494 HG CYS 72 HG CYS 72 -3.574 6.749 1.604 495 H ALA 73 H ALA 73 1.334 5.942 4.491 496 HA ALA 73 HA ALA 73 0.840 6.587 7.262 497 1HB ALA 73 1HB ALA 73 1.542 4.381 6.592 498 2HB ALA 73 2HB ALA 73 2.999 5.021 5.822 499 3HB ALA 73 3HB ALA 73 2.824 5.143 7.562 500 H VAL 74 H VAL 74 2.915 8.061 4.890 501 HA VAL 74 HA VAL 74 4.423 9.551 6.998 502 HB VAL 74 HB VAL 74 5.169 8.378 4.474 503 1HG1 VAL 74 1HG1 VAL 74 4.805 10.535 3.366 504 2HG1 VAL 74 2HG1 VAL 74 5.836 11.339 4.579 505 3HG1 VAL 74 3HG1 VAL 74 6.520 10.136 3.476 506 1HG2 VAL 74 1HG2 VAL 74 6.868 10.005 6.395 507 2HG2 VAL 74 2HG2 VAL 74 6.368 8.334 6.692 508 3HG2 VAL 74 3HG2 VAL 74 7.386 8.705 5.291 509 H MET 75 H MET 75 2.168 10.002 4.351 510 HA MET 75 HA MET 75 1.935 12.910 4.986 511 2HB MET 75 2HB MET 75 3.199 12.624 2.940 512 2HG MET 75 2HG MET 75 1.033 10.698 2.218 513 1HE MET 75 1HE MET 75 -0.528 10.599 0.427 514 2HE MET 75 2HE MET 75 -0.757 12.273 0.975 515 3HE MET 75 3HE MET 75 -0.711 11.902 -0.765 516 H LYS 76 H LYS 76 0.310 10.524 5.807 517 HA LYS 76 HA LYS 76 -1.716 9.976 6.438 518 2HB LYS 76 2HB LYS 76 -1.659 12.414 7.106 519 2HG LYS 76 2HG LYS 76 -2.738 13.095 4.724 520 2HD LYS 76 2HD LYS 76 -5.208 12.819 6.473 521 2HE LYS 76 2HE LYS 76 -6.341 13.290 4.295 522 1HZ LYS 76 1HZ LYS 76 -5.736 15.208 5.680 523 2HZ LYS 76 2HZ LYS 76 -4.285 15.340 4.937 524 3HZ LYS 76 3HZ LYS 76 -5.656 15.607 4.099 Start of MODEL 9 1 1H MET 1 H MET 1 -14.501 28.844 -10.969 2 HA MET 1 HA MET 1 -16.839 30.434 -10.969 3 2HB MET 1 2HB MET 1 -16.898 28.706 -13.463 4 2HG MET 1 2HG MET 1 -18.528 31.060 -12.418 5 1HE MET 1 1HE MET 1 -20.516 28.912 -14.739 6 2HE MET 1 2HE MET 1 -21.171 30.434 -14.086 7 3HE MET 1 3HE MET 1 -20.963 30.231 -15.840 8 H CYS 2 H CYS 2 -16.323 27.000 -12.101 9 HA CYS 2 HA CYS 2 -17.957 25.966 -9.891 10 2HB CYS 2 2HB CYS 2 -18.026 24.932 -12.107 11 HG CYS 2 HG CYS 2 -16.177 23.481 -13.203 12 H ARG 3 H ARG 3 -17.107 24.368 -8.365 13 HA ARG 3 HA ARG 3 -14.223 24.283 -7.788 14 2HB ARG 3 2HB ARG 3 -15.994 25.302 -5.545 15 2HG ARG 3 2HG ARG 3 -13.471 24.508 -5.326 16 2HD ARG 3 2HD ARG 3 -13.183 27.328 -6.433 17 HE ARG 3 HE ARG 3 -11.296 25.618 -4.939 18 1HH1 ARG 3 1HH2 ARG 3 -11.550 28.436 -7.011 19 2HH1 ARG 3 2HH2 ARG 3 -10.018 29.075 -6.478 20 1HH2 ARG 3 1HH1 ARG 3 -9.344 26.493 -4.316 21 2HH2 ARG 3 2HH1 ARG 3 -8.809 27.996 -5.007 22 H LYS 4 H LYS 4 -15.740 22.218 -8.593 23 HA LYS 4 HA LYS 4 -16.348 20.507 -6.187 24 2HB LYS 4 2HB LYS 4 -18.092 19.459 -7.703 25 2HG LYS 4 2HG LYS 4 -18.342 22.342 -6.779 26 2HD LYS 4 2HD LYS 4 -20.490 20.598 -8.047 27 2HE LYS 4 2HE LYS 4 -20.579 22.793 -6.051 28 1HZ LYS 4 1HZ LYS 4 -21.265 24.059 -7.983 29 2HZ LYS 4 2HZ LYS 4 -22.336 22.908 -8.446 30 3HZ LYS 4 3HZ LYS 4 -22.579 23.752 -7.070 31 H LYS 5 H LYS 5 -14.273 19.635 -6.161 32 HA LYS 5 HA LYS 5 -12.998 18.330 -8.372 33 2HB LYS 5 2HB LYS 5 -11.779 19.041 -6.353 34 2HG LYS 5 2HG LYS 5 -11.893 16.817 -4.658 35 2HD LYS 5 2HD LYS 5 -13.345 18.428 -3.139 36 2HE LYS 5 2HE LYS 5 -10.810 17.817 -3.024 37 1HZ LYS 5 1HZ LYS 5 -10.052 19.479 -4.684 38 2HZ LYS 5 2HZ LYS 5 -10.666 20.696 -3.768 39 3HZ LYS 5 3HZ LYS 5 -9.431 19.795 -3.209 40 HA PRO 6 HA PRO 6 -15.227 14.419 -8.516 41 2HB PRO 6 2HB PRO 6 -14.175 13.946 -10.481 42 2HG PRO 6 2HG PRO 6 -12.004 14.661 -10.914 43 2HD PRO 6 2HD PRO 6 -12.640 16.659 -9.954 44 H ASP 7 H ASP 7 -14.724 11.971 -7.815 45 HA ASP 7 HA ASP 7 -14.348 11.971 -4.956 46 2HB ASP 7 2HB ASP 7 -14.900 9.564 -5.156 47 H THR 8 H THR 8 -11.938 12.822 -6.099 48 HA THR 8 HA THR 8 -9.963 10.679 -6.246 49 HB THR 8 HB THR 8 -9.871 12.633 -7.685 50 HG1 THR 8 1HG THR 8 -7.655 12.994 -7.400 51 1HG2 THR 8 1HG2 THR 8 -10.601 14.420 -6.101 52 2HG2 THR 8 2HG2 THR 8 -9.049 14.268 -5.243 53 3HG2 THR 8 3HG2 THR 8 -9.093 14.803 -6.933 54 H MET 9 H MET 9 -10.868 13.095 -3.784 55 HA MET 9 HA MET 9 -8.723 12.598 -1.940 56 2HB MET 9 2HB MET 9 -11.604 13.508 -1.502 57 2HG MET 9 2HG MET 9 -9.358 13.136 0.417 58 1HE MET 9 1HE MET 9 -11.862 15.080 2.332 59 2HE MET 9 2HE MET 9 -10.328 14.433 2.967 60 3HE MET 9 3HE MET 9 -10.627 16.187 2.961 61 H ILE 10 H ILE 10 -11.866 10.998 -2.442 62 HA ILE 10 HA ILE 10 -11.447 9.100 -0.268 63 HB ILE 10 HB ILE 10 -13.451 8.886 -2.537 64 2HG1 ILE 10 2HG1 ILE 10 -15.084 9.809 -0.860 65 1HG2 ILE 10 1HG2 ILE 10 -13.175 6.766 -1.354 66 2HG2 ILE 10 2HG2 ILE 10 -13.295 7.574 0.221 67 3HG2 ILE 10 3HG2 ILE 10 -14.703 7.491 -0.863 68 1HD1 ILE 10 1HD1 ILE 10 -13.681 9.638 1.248 69 2HD1 ILE 10 2HD1 ILE 10 -12.650 10.934 0.603 70 3HD1 ILE 10 3HD1 ILE 10 -14.354 11.247 0.941 71 H LEU 11 H LEU 11 -10.632 9.104 -3.767 72 HA LEU 11 HA LEU 11 -10.073 6.428 -4.132 73 2HB LEU 11 2HB LEU 11 -8.044 8.352 -5.159 74 HG LEU 11 HG LEU 11 -9.856 6.513 -6.767 75 1HD1 LEU 11 1HD1 LEU 11 -8.591 8.296 -7.940 76 2HD1 LEU 11 2HD1 LEU 11 -7.070 7.641 -7.287 77 3HD1 LEU 11 3HD1 LEU 11 -8.044 6.680 -8.422 78 1HD2 LEU 11 1HD2 LEU 11 -7.142 5.724 -5.646 79 2HD2 LEU 11 2HD2 LEU 11 -8.707 4.938 -5.305 80 3HD2 LEU 11 3HD2 LEU 11 -8.021 4.855 -6.923 81 H THR 12 H THR 12 -7.993 8.782 -2.424 82 HA THR 12 HA THR 12 -5.876 6.990 -1.704 83 HB THR 12 HB THR 12 -6.848 9.672 -0.853 84 HG1 THR 12 1HG THR 12 -4.668 10.108 -1.358 85 1HG2 THR 12 1HG2 THR 12 -6.387 8.852 1.362 86 2HG2 THR 12 2HG2 THR 12 -4.840 8.138 0.836 87 3HG2 THR 12 3HG2 THR 12 -5.071 9.903 0.854 88 H GLN 13 H GLN 13 -9.007 7.586 -0.051 89 HA GLN 13 HA GLN 13 -8.344 5.861 2.231 90 2HB GLN 13 2HB GLN 13 -10.931 5.962 2.479 91 2HG GLN 13 2HG GLN 13 -9.393 8.567 2.762 92 1HE2 GLN 13 2HE2 GLN 13 -10.116 9.398 5.173 93 2HE2 GLN 13 1HE2 GLN 13 -11.865 9.419 5.377 94 H ILE 14 H ILE 14 -10.228 5.405 -0.858 95 HA ILE 14 HA ILE 14 -10.804 2.670 -0.122 96 HB ILE 14 HB ILE 14 -12.302 3.148 -1.698 97 2HG1 ILE 14 2HG1 ILE 14 -11.193 1.034 -2.266 98 1HG2 ILE 14 1HG2 ILE 14 -11.557 5.266 -2.462 99 2HG2 ILE 14 2HG2 ILE 14 -10.176 4.513 -3.330 100 3HG2 ILE 14 3HG2 ILE 14 -11.853 4.305 -3.876 101 1HD1 ILE 14 1HD1 ILE 14 -13.073 1.803 -3.795 102 2HD1 ILE 14 2HD1 ILE 14 -11.813 2.384 -4.919 103 3HD1 ILE 14 3HD1 ILE 14 -11.904 0.673 -4.516 104 H GLU 15 H GLU 15 -7.998 4.140 -1.908 105 HA GLU 15 HA GLU 15 -6.705 1.659 -2.369 106 2HB GLU 15 2HB GLU 15 -4.586 3.169 -2.006 107 2HG GLU 15 2HG GLU 15 -6.277 4.126 -4.273 108 H ALA 16 H ALA 16 -7.060 3.305 0.727 109 HA ALA 16 HA ALA 16 -5.141 1.653 2.133 110 1HB ALA 16 1HB ALA 16 -5.925 3.854 2.938 111 2HB ALA 16 2HB ALA 16 -7.549 3.195 3.174 112 3HB ALA 16 3HB ALA 16 -6.225 2.562 4.119 113 H LYS 17 H LYS 17 -8.750 1.395 1.729 114 HA LYS 17 HA LYS 17 -8.825 -1.143 3.184 115 2HB LYS 17 2HB LYS 17 -10.728 0.562 3.036 116 2HG LYS 17 2HG LYS 17 -11.321 -0.973 0.448 117 2HD LYS 17 2HD LYS 17 -13.252 0.766 0.405 118 2HE LYS 17 2HE LYS 17 -14.643 -0.767 2.013 119 1HZ LYS 17 1HZ LYS 17 -14.643 -1.110 -0.375 120 2HZ LYS 17 2HZ LYS 17 -13.241 -1.952 -0.327 121 3HZ LYS 17 3HZ LYS 17 -14.587 -2.561 0.364 122 H GLU 18 H GLU 18 -8.766 -0.272 -0.228 123 HA GLU 18 HA GLU 18 -9.066 -2.932 -1.313 124 2HB GLU 18 2HB GLU 18 -7.513 -1.758 -3.178 125 2HG GLU 18 2HG GLU 18 -9.958 -0.419 -3.572 126 H ALA 19 H ALA 19 -6.232 -1.171 0.043 127 HA ALA 19 HA ALA 19 -4.413 -3.261 -0.775 128 1HB ALA 19 1HB ALA 19 -3.733 -1.005 -0.014 129 2HB ALA 19 2HB ALA 19 -4.230 -1.469 1.645 130 3HB ALA 19 3HB ALA 19 -2.910 -2.326 0.810 131 H CYS 20 H CYS 20 -6.552 -2.909 2.176 132 HA CYS 20 HA CYS 20 -5.621 -5.336 3.345 133 2HB CYS 20 2HB CYS 20 -8.441 -4.239 3.565 134 HG CYS 20 HG CYS 20 -8.413 -5.170 6.047 135 H ASP 21 H ASP 21 -8.339 -4.846 1.051 136 HA ASP 21 HA ASP 21 -8.957 -7.607 0.678 137 2HB ASP 21 2HB ASP 21 -9.240 -5.206 -1.151 138 H TRP 22 H TRP 22 -6.658 -5.547 -1.165 139 HA TRP 22 HA TRP 22 -5.923 -7.526 -3.075 140 2HB TRP 22 2HB TRP 22 -4.379 -5.088 -2.162 141 HD1 TRP 22 HD TRP 22 -5.196 -5.511 -5.760 142 HE1 TRP 22 1HE TRP 22 -3.137 -6.131 -7.154 143 HE3 TRP 22 3HE TRP 22 -1.875 -6.435 -1.975 144 HZ2 TRP 22 2HZ TRP 22 -0.516 -7.196 -6.688 145 HZ3 TRP 22 3HZ TRP 22 0.367 -7.380 -2.479 146 HH2 TRP 22 HH TRP 22 1.037 -7.800 -4.829 147 H LEU 23 H LEU 23 -4.134 -6.400 -0.119 148 HA LEU 23 HA LEU 23 -1.980 -8.262 -0.326 149 2HB LEU 23 2HB LEU 23 -2.022 -7.990 2.256 150 HG LEU 23 HG LEU 23 -0.921 -6.028 2.465 151 1HD1 LEU 23 1HD1 LEU 23 0.170 -7.697 0.872 152 2HD1 LEU 23 2HD1 LEU 23 -0.278 -6.589 -0.431 153 3HD1 LEU 23 3HD1 LEU 23 0.788 -6.045 0.870 154 1HD2 LEU 23 1HD2 LEU 23 -2.134 -4.935 -0.066 155 2HD2 LEU 23 2HD2 LEU 23 -2.333 -4.368 1.621 156 3HD2 LEU 23 3HD2 LEU 23 -0.769 -4.207 0.823 157 H ARG 24 H ARG 24 -5.180 -8.592 1.299 158 HA ARG 24 HA ARG 24 -4.794 -11.257 2.278 159 2HB ARG 24 2HB ARG 24 -7.382 -9.872 1.451 160 2HG ARG 24 2HG ARG 24 -6.858 -11.929 3.632 161 2HD ARG 24 2HD ARG 24 -9.540 -11.029 2.540 162 HE ARG 24 HE ARG 24 -8.652 -12.647 4.803 163 1HH1 ARG 24 1HH2 ARG 24 -11.338 -10.641 3.756 164 2HH1 ARG 24 2HH2 ARG 24 -12.410 -11.313 4.956 165 1HH2 ARG 24 1HH1 ARG 24 -10.064 -13.417 6.321 166 2HH2 ARG 24 2HH1 ARG 24 -11.702 -12.834 6.366 167 H ALA 25 H ALA 25 -6.334 -10.155 -0.781 168 HA ALA 25 HA ALA 25 -6.867 -12.782 -1.785 169 1HB ALA 25 1HB ALA 25 -8.097 -10.768 -2.483 170 2HB ALA 25 2HB ALA 25 -6.628 -10.114 -3.236 171 3HB ALA 25 3HB ALA 25 -7.381 -11.587 -3.879 172 H THR 26 H THR 26 -4.035 -10.677 -2.105 173 HA THR 26 HA THR 26 -2.624 -12.229 -4.089 174 HB THR 26 HB THR 26 -1.788 -10.079 -2.118 175 HG1 THR 26 1HG THR 26 -1.769 -8.866 -3.963 176 1HG2 THR 26 1HG2 THR 26 0.212 -11.513 -2.668 177 2HG2 THR 26 2HG2 THR 26 -0.073 -11.177 -4.384 178 3HG2 THR 26 3HG2 THR 26 0.327 -9.864 -3.254 179 H GLY 27 H GLY 27 -2.157 -11.973 -0.489 180 1HA GLY 27 2HA GLY 27 -1.847 -14.550 0.230 181 2HA GLY 27 3HA GLY 27 -0.319 -14.302 -0.607 182 H PHE 28 H PHE 28 -1.525 -11.580 1.262 183 HA PHE 28 HA PHE 28 0.452 -12.131 3.431 184 2HB PHE 28 2HB PHE 28 1.444 -9.964 3.110 185 HD1 PHE 28 2HD PHE 28 3.205 -11.737 2.861 186 HD2 PHE 28 1HD PHE 28 0.833 -10.333 -0.448 187 HE1 PHE 28 2HE PHE 28 4.744 -12.880 1.278 188 HE2 PHE 28 1HE PHE 28 2.381 -11.470 -2.037 189 HZ PHE 28 HZ PHE 28 4.228 -12.841 -1.148 190 HA PRO 29 HA PRO 29 -3.463 -10.115 5.003 191 2HB PRO 29 2HB PRO 29 -4.564 -12.038 5.456 192 2HG PRO 29 2HG PRO 29 -3.436 -14.082 5.667 193 2HD PRO 29 2HD PRO 29 -2.310 -13.311 3.784 194 H GLN 30 H GLN 30 -0.347 -10.895 6.310 195 HA GLN 30 HA GLN 30 -0.424 -9.256 8.694 196 2HB GLN 30 2HB GLN 30 1.826 -10.357 6.965 197 2HG GLN 30 2HG GLN 30 2.772 -8.534 8.280 198 1HE2 GLN 30 2HE2 GLN 30 1.223 -7.303 9.656 199 2HE2 GLN 30 1HE2 GLN 30 1.151 -7.693 11.376 200 H TYR 31 H TYR 31 0.615 -8.530 5.272 201 HA TYR 31 HA TYR 31 1.839 -6.014 5.966 202 2HB TYR 31 2HB TYR 31 1.369 -5.572 3.451 203 HD1 TYR 31 1HD TYR 31 3.857 -6.092 5.304 204 HD2 TYR 31 2HD TYR 31 2.209 -8.116 1.875 205 HE1 TYR 31 1HE TYR 31 6.080 -7.073 4.794 206 HE2 TYR 31 2HE TYR 31 4.393 -9.171 1.433 207 HH TYR 31 HH TYR 31 6.576 -9.340 2.060 208 H ALA 32 H ALA 32 -1.474 -6.806 4.949 209 HA ALA 32 HA ALA 32 -2.551 -4.151 4.975 210 1HB ALA 32 1HB ALA 32 -3.724 -6.118 4.080 211 2HB ALA 32 2HB ALA 32 -3.791 -6.854 5.694 212 3HB ALA 32 3HB ALA 32 -4.684 -5.353 5.370 213 H GLN 33 H GLN 33 -2.099 -6.569 7.596 214 HA GLN 33 HA GLN 33 -3.406 -5.022 9.600 215 2HB GLN 33 2HB GLN 33 -1.324 -7.161 10.132 216 2HG GLN 33 2HG GLN 33 -3.416 -5.833 11.702 217 1HE2 GLN 33 2HE2 GLN 33 -5.445 -6.785 10.659 218 2HE2 GLN 33 1HE2 GLN 33 -5.941 -8.376 11.210 219 H LEU 34 H LEU 34 0.022 -5.248 8.658 220 HA LEU 34 HA LEU 34 1.158 -3.613 10.730 221 2HB LEU 34 2HB LEU 34 2.735 -3.117 8.630 222 HG LEU 34 HG LEU 34 2.555 -5.564 10.317 223 1HD1 LEU 34 1HD1 LEU 34 3.231 -6.387 8.063 224 2HD1 LEU 34 2HD1 LEU 34 4.584 -5.262 8.070 225 3HD1 LEU 34 3HD1 LEU 34 4.518 -6.561 9.271 226 1HD2 LEU 34 1HD2 LEU 34 4.938 -3.741 9.873 227 2HD2 LEU 34 2HD2 LEU 34 3.652 -3.338 11.021 228 3HD2 LEU 34 3HD2 LEU 34 4.607 -4.821 11.235 229 H TYR 35 H TYR 35 -0.490 -2.739 7.682 230 HA TYR 35 HA TYR 35 -0.074 0.129 8.108 231 2HB TYR 35 2HB TYR 35 -1.878 -1.427 6.244 232 HD1 TYR 35 1HD TYR 35 0.005 1.745 5.722 233 HD2 TYR 35 2HD TYR 35 -3.859 -0.066 6.398 234 HE1 TYR 35 1HE TYR 35 -1.121 3.777 4.822 235 HE2 TYR 35 2HE TYR 35 -4.966 2.029 5.699 236 HH TYR 35 HH TYR 35 -4.673 4.122 4.719 237 H GLU 36 H GLU 36 -2.907 -2.090 8.502 238 HA GLU 36 HA GLU 36 -4.688 -0.135 9.549 239 2HB GLU 36 2HB GLU 36 -5.855 -2.162 10.552 240 2HG GLU 36 2HG GLU 36 -5.975 -3.439 8.238 241 H ASP 37 H ASP 37 -2.021 -1.766 11.135 242 HA ASP 37 HA ASP 37 -2.575 -1.314 13.856 243 2HB ASP 37 2HB ASP 37 0.088 -1.193 12.398 244 H PHE 38 H PHE 38 -0.687 0.856 11.672 245 HA PHE 38 HA PHE 38 -1.784 3.265 12.741 246 2HB PHE 38 2HB PHE 38 0.973 3.558 13.623 247 HD1 PHE 38 1HD PHE 38 -0.901 5.628 13.544 248 HD2 PHE 38 2HD PHE 38 -0.753 2.406 16.403 249 HE1 PHE 38 1HE PHE 38 -2.282 6.962 15.114 250 HE2 PHE 38 2HE PHE 38 -2.124 3.746 17.981 251 HZ PHE 38 HZ PHE 38 -2.909 6.016 17.329 252 H LEU 39 H LEU 39 -1.085 2.140 10.124 253 HA LEU 39 HA LEU 39 -0.068 2.506 8.176 254 2HB LEU 39 2HB LEU 39 -0.036 4.604 7.246 255 HG LEU 39 HG LEU 39 -2.404 3.926 8.257 256 1HD1 LEU 39 1HD1 LEU 39 -2.159 4.990 10.499 257 2HD1 LEU 39 2HD1 LEU 39 -1.714 6.526 9.727 258 3HD1 LEU 39 3HD1 LEU 39 -3.355 5.866 9.556 259 1HD2 LEU 39 1HD2 LEU 39 -1.802 6.766 7.315 260 2HD2 LEU 39 2HD2 LEU 39 -1.973 5.371 6.251 261 3HD2 LEU 39 3HD2 LEU 39 -3.353 5.913 7.196 262 H PHE 40 H PHE 40 1.765 1.258 8.602 263 HA PHE 40 HA PHE 40 4.149 2.352 9.789 264 2HB PHE 40 2HB PHE 40 3.348 0.030 10.052 265 HD1 PHE 40 1HD PHE 40 2.090 0.102 7.169 266 HD2 PHE 40 2HD PHE 40 5.611 -1.809 8.748 267 HE1 PHE 40 1HE PHE 40 1.962 -1.593 5.389 268 HE2 PHE 40 2HE PHE 40 5.490 -3.499 6.945 269 HZ PHE 40 HZ PHE 40 3.651 -3.407 5.279 270 HA PRO 41 HA PRO 41 5.812 3.646 5.749 271 2HB PRO 41 2HB PRO 41 5.775 5.763 6.660 272 2HG PRO 41 2HG PRO 41 6.358 6.172 8.892 273 2HD PRO 41 2HD PRO 41 4.871 4.478 9.298 274 H ILE 42 H ILE 42 6.663 1.383 5.585 275 HA ILE 42 HA ILE 42 9.505 1.049 6.350 276 HB ILE 42 HB ILE 42 9.390 -1.166 5.801 277 2HG1 ILE 42 2HG1 ILE 42 8.710 -1.619 3.724 278 1HG2 ILE 42 1HG2 ILE 42 7.995 -0.453 7.736 279 2HG2 ILE 42 2HG2 ILE 42 6.575 -0.542 6.681 280 3HG2 ILE 42 3HG2 ILE 42 7.525 -2.004 7.039 281 1HD1 ILE 42 1HD1 ILE 42 7.060 -3.079 5.000 282 2HD1 ILE 42 2HD1 ILE 42 5.863 -1.778 4.739 283 3HD1 ILE 42 3HD1 ILE 42 6.582 -2.599 3.361 284 H ASP 43 H ASP 43 11.026 0.185 4.703 285 HA ASP 43 HA ASP 43 10.885 1.708 2.143 286 2HB ASP 43 2HB ASP 43 13.201 0.167 3.365 287 H ILE 44 H ILE 44 10.280 0.604 0.321 288 HA ILE 44 HA ILE 44 9.675 -2.197 0.183 289 HB ILE 44 HB ILE 44 10.425 -0.220 -2.007 290 2HG1 ILE 44 2HG1 ILE 44 8.064 0.008 -2.423 291 1HG2 ILE 44 1HG2 ILE 44 10.792 -2.407 -2.938 292 2HG2 ILE 44 2HG2 ILE 44 9.291 -3.043 -2.243 293 3HG2 ILE 44 3HG2 ILE 44 9.251 -1.836 -3.550 294 1HD1 ILE 44 1HD1 ILE 44 7.246 -2.262 -1.616 295 2HD1 ILE 44 2HD1 ILE 44 7.453 -1.666 0.047 296 3HD1 ILE 44 3HD1 ILE 44 6.321 -0.860 -1.059 297 H SER 45 H SER 45 12.773 -0.466 -0.238 298 HA SER 45 HA SER 45 14.228 -2.676 -1.340 299 2HB SER 45 2HB SER 45 15.900 -1.143 0.460 300 HG SER 45 HG SER 45 16.658 -0.409 -1.653 301 H LEU 46 H LEU 46 13.551 -1.820 2.104 302 HA LEU 46 HA LEU 46 15.000 -4.124 3.113 303 2HB LEU 46 2HB LEU 46 14.262 -1.872 4.321 304 HG LEU 46 HG LEU 46 11.754 -2.639 4.554 305 1HD1 LEU 46 1HD1 LEU 46 12.078 -4.978 5.332 306 2HD1 LEU 46 2HD1 LEU 46 13.047 -4.398 6.687 307 3HD1 LEU 46 3HD1 LEU 46 11.325 -4.014 6.578 308 1HD2 LEU 46 1HD2 LEU 46 13.392 -1.950 7.020 309 2HD2 LEU 46 2HD2 LEU 46 12.802 -0.786 5.808 310 3HD2 LEU 46 3HD2 LEU 46 11.644 -1.687 6.804 311 H VAL 47 H VAL 47 11.547 -3.446 2.377 312 HA VAL 47 HA VAL 47 10.642 -5.956 3.356 313 HB VAL 47 HB VAL 47 9.412 -3.682 2.177 314 1HG1 VAL 47 1HG1 VAL 47 9.244 -4.889 -0.002 315 2HG1 VAL 47 2HG1 VAL 47 8.372 -6.216 0.829 316 3HG1 VAL 47 3HG1 VAL 47 7.694 -4.594 0.727 317 1HG2 VAL 47 1HG2 VAL 47 8.320 -6.245 3.419 318 2HG2 VAL 47 2HG2 VAL 47 8.795 -4.748 4.263 319 3HG2 VAL 47 3HG2 VAL 47 7.393 -4.754 3.184 320 H LYS 48 H LYS 48 11.699 -5.088 0.076 321 HA LYS 48 HA LYS 48 11.179 -7.604 -1.145 322 2HB LYS 48 2HB LYS 48 13.164 -5.377 -1.686 323 2HG LYS 48 2HG LYS 48 12.550 -6.794 -4.118 324 2HD LYS 48 2HD LYS 48 15.026 -7.121 -4.199 325 2HE LYS 48 2HE LYS 48 13.997 -4.364 -3.375 326 1HZ LYS 48 1HZ LYS 48 16.414 -4.407 -3.313 327 2HZ LYS 48 2HZ LYS 48 16.499 -5.090 -4.802 328 3HZ LYS 48 3HZ LYS 48 15.931 -3.568 -4.624 329 H ARG 49 H ARG 49 14.066 -6.411 0.566 330 HA ARG 49 HA ARG 49 15.632 -8.843 0.321 331 2HB ARG 49 2HB ARG 49 16.964 -7.727 2.198 332 2HG ARG 49 2HG ARG 49 16.293 -6.283 -0.387 333 2HD ARG 49 2HD ARG 49 17.217 -4.795 1.657 334 HE ARG 49 HE ARG 49 19.392 -5.515 2.097 335 1HH1 ARG 49 1HH2 ARG 49 19.039 -5.339 -1.391 336 2HH1 ARG 49 2HH2 ARG 49 20.759 -5.426 -1.659 337 1HH2 ARG 49 1HH1 ARG 49 21.578 -5.614 1.668 338 2HH2 ARG 49 2HH1 ARG 49 22.143 -5.584 0.023 339 H GLU 50 H GLU 50 13.270 -7.776 2.746 340 HA GLU 50 HA GLU 50 13.686 -10.045 4.520 341 2HB GLU 50 2HB GLU 50 11.237 -9.217 5.237 342 2HG GLU 50 2HG GLU 50 12.327 -7.172 6.360 343 H HIS 51 H HIS 51 11.399 -9.406 1.837 344 HA HIS 51 HA HIS 51 9.953 -11.870 2.223 345 1HB HIS 51 2HB HIS 51 8.565 -11.021 0.751 346 2HB HIS 51 3HB HIS 51 9.526 -9.573 0.692 347 HD1 HIS 51 1HD HIS 51 11.280 -9.476 -1.532 348 HD2 HIS 51 2HD HIS 51 8.691 -12.739 -1.212 349 HE1 HIS 51 1HE HIS 51 11.280 -10.588 -3.825 350 H ASP 52 H ASP 52 12.472 -10.946 -0.144 351 HA ASP 52 HA ASP 52 13.270 -12.202 -1.873 352 2HB ASP 52 2HB ASP 52 14.957 -11.511 -0.206 353 H PHE 53 H PHE 53 11.095 -13.527 -1.896 354 HA PHE 53 HA PHE 53 11.708 -16.469 -1.823 355 2HB PHE 53 2HB PHE 53 9.252 -15.072 -0.685 356 HD1 PHE 53 1HD PHE 53 7.783 -16.819 -1.911 357 HD2 PHE 53 2HD PHE 53 10.802 -17.855 0.989 358 HE1 PHE 53 1HE PHE 53 6.745 -19.056 -1.626 359 HE2 PHE 53 2HE PHE 53 9.748 -20.080 1.295 360 HZ PHE 53 HZ PHE 53 7.730 -20.690 -0.027 361 H LEU 54 H LEU 54 9.551 -13.937 -3.056 362 HA LEU 54 HA LEU 54 8.142 -15.707 -4.955 363 2HB LEU 54 2HB LEU 54 6.688 -13.827 -5.246 364 HG LEU 54 HG LEU 54 7.418 -14.047 -2.320 365 1HD1 LEU 54 1HD1 LEU 54 6.989 -11.565 -3.056 366 2HD1 LEU 54 2HD1 LEU 54 5.312 -12.087 -3.212 367 3HD1 LEU 54 3HD1 LEU 54 6.181 -12.222 -1.665 368 1HD2 LEU 54 1HD2 LEU 54 4.761 -14.343 -3.751 369 2HD2 LEU 54 2HD2 LEU 54 5.866 -15.685 -3.375 370 3HD2 LEU 54 3HD2 LEU 54 5.143 -14.745 -2.059 371 H ASP 55 H ASP 55 7.752 -14.012 -7.051 372 HA ASP 55 HA ASP 55 10.330 -13.740 -8.443 373 2HB ASP 55 2HB ASP 55 8.957 -12.999 -10.312 374 H ARG 56 H ARG 56 11.034 -11.677 -9.411 375 HA ARG 56 HA ARG 56 10.925 -9.273 -7.818 376 2HB ARG 56 2HB ARG 56 11.633 -8.161 -10.005 377 2HG ARG 56 2HG ARG 56 13.778 -9.322 -10.321 378 2HD ARG 56 2HD ARG 56 13.302 -9.193 -7.327 379 HE ARG 56 HE ARG 56 15.508 -7.747 -8.563 380 1HH1 ARG 56 1HH2 ARG 56 14.709 -10.960 -7.401 381 2HH1 ARG 56 2HH2 ARG 56 16.384 -11.435 -7.325 382 1HH2 ARG 56 1HH1 ARG 56 17.606 -8.427 -8.446 383 2HH2 ARG 56 2HH1 ARG 56 17.972 -10.032 -7.890 384 H ASP 57 H ASP 57 8.865 -10.425 -10.451 385 HA ASP 57 HA ASP 57 7.265 -8.081 -10.756 386 2HB ASP 57 2HB ASP 57 6.096 -10.824 -11.170 387 H ALA 58 H ALA 58 7.023 -10.826 -8.472 388 HA ALA 58 HA ALA 58 4.440 -10.113 -7.395 389 1HB ALA 58 1HB ALA 58 5.495 -12.370 -7.150 390 2HB ALA 58 2HB ALA 58 6.714 -11.620 -6.091 391 3HB ALA 58 3HB ALA 58 5.016 -11.641 -5.598 392 H ILE 59 H ILE 59 7.845 -9.274 -6.449 393 HA ILE 59 HA ILE 59 6.940 -7.492 -4.365 394 HB ILE 59 HB ILE 59 9.550 -8.122 -5.507 395 2HG1 ILE 59 2HG1 ILE 59 10.245 -7.882 -3.242 396 1HG2 ILE 59 1HG2 ILE 59 9.682 -5.809 -6.260 397 2HG2 ILE 59 2HG2 ILE 59 9.115 -5.210 -4.683 398 3HG2 ILE 59 3HG2 ILE 59 10.681 -6.003 -4.827 399 1HD1 ILE 59 1HD1 ILE 59 9.188 -5.817 -2.424 400 2HD1 ILE 59 2HD1 ILE 59 7.581 -6.551 -2.544 401 3HD1 ILE 59 3HD1 ILE 59 8.762 -7.185 -1.392 402 H GLU 60 H GLU 60 7.609 -6.826 -7.868 403 HA GLU 60 HA GLU 60 7.074 -4.034 -7.641 404 2HB GLU 60 2HB GLU 60 6.353 -4.362 -10.131 405 2HG GLU 60 2HG GLU 60 8.834 -5.217 -10.645 406 H ALA 61 H ALA 61 4.780 -6.735 -8.026 407 HA ALA 61 HA ALA 61 2.412 -5.101 -8.217 408 1HB ALA 61 1HB ALA 61 2.648 -7.445 -9.043 409 2HB ALA 61 2HB ALA 61 2.750 -8.013 -7.362 410 3HB ALA 61 3HB ALA 61 1.268 -7.238 -7.962 411 H LEU 62 H LEU 62 3.882 -6.910 -5.459 412 HA LEU 62 HA LEU 62 2.076 -6.065 -3.410 413 2HB LEU 62 2HB LEU 62 4.935 -7.042 -3.496 414 HG LEU 62 HG LEU 62 4.871 -5.765 -1.442 415 1HD1 LEU 62 1HD1 LEU 62 2.437 -5.699 -0.994 416 2HD1 LEU 62 2HD1 LEU 62 2.434 -7.454 -0.728 417 3HD1 LEU 62 3HD1 LEU 62 3.312 -6.374 0.370 418 1HD2 LEU 62 1HD2 LEU 62 4.529 -8.736 -0.880 419 2HD2 LEU 62 2HD2 LEU 62 5.986 -8.022 -1.604 420 3HD2 LEU 62 3HD2 LEU 62 5.508 -7.546 0.033 421 H CYS 63 H CYS 63 5.211 -4.716 -4.399 422 HA CYS 63 HA CYS 63 5.351 -2.420 -2.823 423 2HB CYS 63 2HB CYS 63 6.224 -2.924 -5.691 424 HG CYS 63 HG CYS 63 8.101 -1.086 -5.522 425 H ARG 64 H ARG 64 3.202 -2.934 -5.692 426 HA ARG 64 HA ARG 64 2.570 -0.178 -5.928 427 2HB ARG 64 2HB ARG 64 0.555 -2.407 -6.409 428 2HG ARG 64 2HG ARG 64 1.023 0.417 -7.291 429 2HD ARG 64 2HD ARG 64 -0.347 -1.412 -9.250 430 HE ARG 64 HE ARG 64 0.277 1.356 -9.142 431 1HH1 ARG 64 1HH2 ARG 64 0.616 -1.216 -11.490 432 2HH1 ARG 64 2HH2 ARG 64 0.792 -0.103 -12.822 433 1HH2 ARG 64 1HH1 ARG 64 0.558 2.722 -10.866 434 2HH2 ARG 64 2HH1 ARG 64 0.755 2.072 -12.468 435 H ARG 65 H ARG 65 1.031 -2.643 -3.873 436 HA ARG 65 HA ARG 65 -0.794 -0.665 -2.605 437 2HB ARG 65 2HB ARG 65 -1.142 -2.795 -1.066 438 2HG ARG 65 2HG ARG 65 -2.907 -1.968 -2.440 439 2HD ARG 65 2HD ARG 65 -1.514 -3.334 -4.777 440 HE ARG 65 HE ARG 65 -4.297 -2.605 -4.444 441 1HH1 ARG 65 1HH2 ARG 65 -1.763 -2.721 -6.850 442 2HH1 ARG 65 2HH2 ARG 65 -2.887 -2.686 -8.182 443 1HH2 ARG 65 1HH1 ARG 65 -5.691 -2.580 -6.196 444 2HH2 ARG 65 2HH1 ARG 65 -5.048 -2.662 -7.807 445 H LEU 66 H LEU 66 2.098 -2.525 -1.656 446 HA LEU 66 HA LEU 66 2.169 -1.414 0.960 447 2HB LEU 66 2HB LEU 66 4.792 -2.121 -0.140 448 HG LEU 66 HG LEU 66 4.285 -2.189 2.296 449 1HD1 LEU 66 1HD1 LEU 66 1.965 -2.970 2.374 450 2HD1 LEU 66 2HD1 LEU 66 2.403 -4.447 1.496 451 3HD1 LEU 66 3HD1 LEU 66 3.003 -4.154 3.141 452 1HD2 LEU 66 1HD2 LEU 66 4.931 -4.824 0.884 453 2HD2 LEU 66 2HD2 LEU 66 6.043 -3.530 1.394 454 3HD2 LEU 66 3HD2 LEU 66 5.207 -4.521 2.614 455 H ASN 67 H ASN 67 3.838 -0.203 -2.050 456 HA ASN 67 HA ASN 67 4.967 2.111 -0.834 457 2HB ASN 67 2HB ASN 67 3.870 1.757 -3.649 458 1HD2 ASN 67 2HD2 ASN 67 3.269 3.764 -4.322 459 2HD2 ASN 67 1HD2 ASN 67 4.317 5.164 -4.186 460 H THR 68 H THR 68 1.666 1.694 -2.306 461 HA THR 68 HA THR 68 0.689 4.283 -1.747 462 HB THR 68 HB THR 68 -0.503 1.551 -2.084 463 HG1 THR 68 1HG THR 68 -1.536 2.805 -3.785 464 1HG2 THR 68 1HG2 THR 68 -2.021 2.625 -0.403 465 2HG2 THR 68 2HG2 THR 68 -2.301 3.931 -1.575 466 3HG2 THR 68 3HG2 THR 68 -2.714 2.225 -1.951 467 H LEU 69 H LEU 69 0.697 1.433 0.415 468 HA LEU 69 HA LEU 69 -0.500 2.746 2.688 469 2HB LEU 69 2HB LEU 69 0.704 0.611 3.760 470 HG LEU 69 HG LEU 69 -1.597 0.431 3.651 471 1HD1 LEU 69 1HD1 LEU 69 -2.112 1.771 1.673 472 2HD1 LEU 69 2HD1 LEU 69 -1.780 0.335 0.669 473 3HD1 LEU 69 3HD1 LEU 69 -3.077 0.355 1.892 474 1HD2 LEU 69 1HD2 LEU 69 -0.692 -1.706 1.736 475 2HD2 LEU 69 2HD2 LEU 69 -0.374 -1.717 3.485 476 3HD2 LEU 69 3HD2 LEU 69 -2.038 -1.776 2.905 477 H ASN 70 H ASN 70 2.906 1.923 2.026 478 HA ASN 70 HA ASN 70 4.129 3.158 4.228 479 2HB ASN 70 2HB ASN 70 6.189 3.040 2.897 480 1HD2 ASN 70 2HD2 ASN 70 6.500 0.862 1.047 481 2HD2 ASN 70 1HD2 ASN 70 6.084 -0.594 1.945 482 H LYS 71 H LYS 71 3.094 4.538 1.133 483 HA LYS 71 HA LYS 71 4.321 7.136 1.418 484 2HB LYS 71 2HB LYS 71 1.992 6.135 -0.281 485 2HG LYS 71 2HG LYS 71 1.939 8.640 -0.034 486 2HD LYS 71 2HD LYS 71 4.580 8.792 -0.011 487 2HE LYS 71 2HE LYS 71 4.705 7.637 -2.330 488 1HZ LYS 71 1HZ LYS 71 3.054 9.080 -3.450 489 2HZ LYS 71 2HZ LYS 71 3.980 10.399 -3.174 490 3HZ LYS 71 3HZ LYS 71 4.512 9.226 -4.172 491 H CYS 72 H CYS 72 0.895 6.037 1.908 492 HA CYS 72 HA CYS 72 0.130 8.500 3.196 493 2HB CYS 72 2HB CYS 72 -1.473 6.394 4.245 494 HG CYS 72 HG CYS 72 -3.410 7.231 2.808 495 H ALA 73 H ALA 73 1.689 5.580 4.472 496 HA ALA 73 HA ALA 73 1.578 6.199 7.200 497 1HB ALA 73 1HB ALA 73 2.252 4.022 6.326 498 2HB ALA 73 2HB ALA 73 3.694 4.754 5.599 499 3HB ALA 73 3HB ALA 73 3.545 4.730 7.331 500 H VAL 74 H VAL 74 3.909 7.497 4.791 501 HA VAL 74 HA VAL 74 5.162 9.147 6.932 502 HB VAL 74 HB VAL 74 6.498 10.182 5.155 503 1HG1 VAL 74 1HG1 VAL 74 7.235 8.146 6.464 504 2HG1 VAL 74 2HG1 VAL 74 6.757 7.174 5.055 505 3HG1 VAL 74 3HG1 VAL 74 8.030 8.380 4.906 506 1HG2 VAL 74 1HG2 VAL 74 5.380 8.033 3.303 507 2HG2 VAL 74 2HG2 VAL 74 5.072 9.775 3.157 508 3HG2 VAL 74 3HG2 VAL 74 6.715 9.152 2.949 509 H MET 75 H MET 75 2.846 9.532 4.273 510 HA MET 75 HA MET 75 2.466 12.405 4.877 511 2HB MET 75 2HB MET 75 1.064 12.352 2.794 512 2HG MET 75 2HG MET 75 2.866 11.971 1.184 513 1HE MET 75 1HE MET 75 5.354 13.342 0.946 514 2HE MET 75 2HE MET 75 3.874 14.017 0.227 515 3HE MET 75 3HE MET 75 4.985 15.072 1.120 516 H LYS 76 H LYS 76 1.646 10.909 6.930 517 HA LYS 76 HA LYS 76 0.149 11.107 8.549 518 2HB LYS 76 2HB LYS 76 -2.129 12.204 6.980 519 2HG LYS 76 2HG LYS 76 -0.721 13.590 9.246 520 2HD LYS 76 2HD LYS 76 -3.456 13.558 8.139 521 2HE LYS 76 2HE LYS 76 -4.534 13.777 10.413 522 1HZ LYS 76 1HZ LYS 76 -4.808 11.689 9.218 523 2HZ LYS 76 2HZ LYS 76 -3.405 11.091 9.808 524 3HZ LYS 76 3HZ LYS 76 -4.660 11.370 10.812 Start of MODEL 10 1 1H MET 1 H MET 1 -6.151 19.108 -5.994 2 HA MET 1 HA MET 1 -8.773 18.675 -5.008 3 2HB MET 1 2HB MET 1 -7.760 17.131 -3.393 4 2HG MET 1 2HG MET 1 -6.437 19.519 -2.059 5 1HE MET 1 1HE MET 1 -6.221 15.530 -2.389 6 2HE MET 1 2HE MET 1 -4.585 16.198 -2.321 7 3HE MET 1 3HE MET 1 -5.197 15.219 -0.986 8 H CYS 2 H CYS 2 -9.651 20.692 -5.059 9 HA CYS 2 HA CYS 2 -8.267 23.018 -3.870 10 2HB CYS 2 2HB CYS 2 -8.887 24.309 -6.096 11 HG CYS 2 HG CYS 2 -6.621 24.120 -7.253 12 H ARG 3 H ARG 3 -11.080 22.466 -6.062 13 HA ARG 3 HA ARG 3 -12.958 23.483 -3.953 14 2HB ARG 3 2HB ARG 3 -14.197 24.380 -6.177 15 2HG ARG 3 2HG ARG 3 -13.225 25.666 -4.031 16 2HD ARG 3 2HD ARG 3 -11.767 26.911 -6.396 17 HE ARG 3 HE ARG 3 -12.540 27.936 -3.840 18 1HH1 ARG 3 1HH2 ARG 3 -9.766 28.038 -5.977 19 2HH1 ARG 3 2HH2 ARG 3 -9.141 29.485 -5.237 20 1HH2 ARG 3 1HH1 ARG 3 -11.676 29.769 -2.938 21 2HH2 ARG 3 2HH1 ARG 3 -10.198 30.434 -3.567 22 H LYS 4 H LYS 4 -12.912 21.925 -7.134 23 HA LYS 4 HA LYS 4 -15.187 20.166 -6.380 24 2HB LYS 4 2HB LYS 4 -16.103 21.837 -7.779 25 2HG LYS 4 2HG LYS 4 -13.713 21.366 -9.597 26 2HD LYS 4 2HD LYS 4 -16.024 23.156 -10.315 27 2HE LYS 4 2HE LYS 4 -14.060 21.674 -12.090 28 1HZ LYS 4 1HZ LYS 4 -15.891 22.989 -13.115 29 2HZ LYS 4 2HZ LYS 4 -15.314 24.342 -12.422 30 3HZ LYS 4 3HZ LYS 4 -14.430 23.563 -13.525 31 H LYS 5 H LYS 5 -13.156 18.985 -5.707 32 HA LYS 5 HA LYS 5 -11.509 17.608 -7.511 33 2HB LYS 5 2HB LYS 5 -11.059 17.782 -5.118 34 2HG LYS 5 2HG LYS 5 -12.652 15.424 -4.337 35 2HD LYS 5 2HD LYS 5 -12.262 18.179 -3.084 36 2HE LYS 5 2HE LYS 5 -13.033 16.951 -0.991 37 1HZ LYS 5 1HZ LYS 5 -14.575 18.449 -2.115 38 2HZ LYS 5 2HZ LYS 5 -15.088 17.264 -3.115 39 3HZ LYS 5 3HZ LYS 5 -15.386 17.174 -1.526 40 HA PRO 6 HA PRO 6 -14.389 14.459 -9.084 41 2HB PRO 6 2HB PRO 6 -13.060 14.417 -10.970 42 2HG PRO 6 2HG PRO 6 -10.730 14.676 -10.871 43 2HD PRO 6 2HD PRO 6 -11.288 16.484 -9.547 44 H ASP 7 H ASP 7 -14.262 11.862 -9.053 45 HA ASP 7 HA ASP 7 -14.320 10.891 -6.393 46 2HB ASP 7 2HB ASP 7 -14.447 8.648 -7.467 47 H THR 8 H THR 8 -11.481 11.612 -8.125 48 HA THR 8 HA THR 8 -9.611 9.678 -7.333 49 HB THR 8 HB THR 8 -9.261 11.633 -8.852 50 HG1 THR 8 1HG THR 8 -7.083 11.699 -8.343 51 1HG2 THR 8 1HG2 THR 8 -9.985 13.420 -7.166 52 2HG2 THR 8 2HG2 THR 8 -8.447 13.136 -6.328 53 3HG2 THR 8 3HG2 THR 8 -8.447 13.723 -8.003 54 H MET 9 H MET 9 -11.055 12.238 -5.341 55 HA MET 9 HA MET 9 -9.361 11.989 -3.032 56 2HB MET 9 2HB MET 9 -12.214 12.955 -3.477 57 2HG MET 9 2HG MET 9 -11.570 14.225 -1.230 58 1HE MET 9 1HE MET 9 -12.076 12.209 1.319 59 2HE MET 9 2HE MET 9 -12.837 13.789 1.054 60 3HE MET 9 3HE MET 9 -13.841 12.364 1.384 61 H ILE 10 H ILE 10 -12.255 10.221 -4.085 62 HA ILE 10 HA ILE 10 -12.271 8.422 -1.741 63 HB ILE 10 HB ILE 10 -13.854 8.465 -4.335 64 2HG1 ILE 10 2HG1 ILE 10 -14.149 9.925 -1.943 65 1HG2 ILE 10 1HG2 ILE 10 -13.644 6.110 -3.758 66 2HG2 ILE 10 2HG2 ILE 10 -14.039 6.444 -2.059 67 3HG2 ILE 10 3HG2 ILE 10 -15.256 6.654 -3.326 68 1HD1 ILE 10 1HD1 ILE 10 -15.226 10.455 -4.079 69 2HD1 ILE 10 2HD1 ILE 10 -16.338 9.076 -3.874 70 3HD1 ILE 10 3HD1 ILE 10 -16.397 10.451 -2.744 71 H LEU 11 H LEU 11 -11.052 8.323 -5.155 72 HA LEU 11 HA LEU 11 -10.334 5.688 -5.281 73 2HB LEU 11 2HB LEU 11 -8.365 7.654 -6.359 74 HG LEU 11 HG LEU 11 -9.910 5.530 -7.893 75 1HD1 LEU 11 1HD1 LEU 11 -8.688 7.312 -9.122 76 2HD1 LEU 11 2HD1 LEU 11 -7.177 6.807 -8.331 77 3HD1 LEU 11 3HD1 LEU 11 -8.015 5.702 -9.443 78 1HD2 LEU 11 1HD2 LEU 11 -7.245 5.032 -6.518 79 2HD2 LEU 11 2HD2 LEU 11 -8.775 4.168 -6.231 80 3HD2 LEU 11 3HD2 LEU 11 -7.960 4.016 -7.776 81 H THR 12 H THR 12 -8.348 8.268 -3.762 82 HA THR 12 HA THR 12 -6.261 6.642 -2.721 83 HB THR 12 HB THR 12 -7.461 9.296 -1.941 84 HG1 THR 12 1HG THR 12 -5.387 9.939 -2.735 85 1HG2 THR 12 1HG2 THR 12 -6.606 8.556 0.178 86 2HG2 THR 12 2HG2 THR 12 -5.111 7.944 -0.570 87 3HG2 THR 12 3HG2 THR 12 -5.448 9.683 -0.502 88 H GLN 13 H GLN 13 -9.535 7.192 -1.367 89 HA GLN 13 HA GLN 13 -8.972 5.805 1.129 90 2HB GLN 13 2HB GLN 13 -10.993 7.532 0.274 91 2HG GLN 13 2HG GLN 13 -12.181 4.816 0.981 92 1HE2 GLN 13 2HE2 GLN 13 -14.246 4.769 1.775 93 2HE2 GLN 13 1HE2 GLN 13 -15.218 6.202 2.039 94 H ILE 14 H ILE 14 -10.574 4.868 -1.992 95 HA ILE 14 HA ILE 14 -11.095 2.217 -1.000 96 HB ILE 14 HB ILE 14 -12.418 2.265 -2.738 97 2HG1 ILE 14 2HG1 ILE 14 -10.881 0.392 -3.256 98 1HG2 ILE 14 1HG2 ILE 14 -12.002 4.485 -3.462 99 2HG2 ILE 14 2HG2 ILE 14 -10.473 3.955 -4.235 100 3HG2 ILE 14 3HG2 ILE 14 -12.067 3.498 -4.883 101 1HD1 ILE 14 1HD1 ILE 14 -12.895 0.764 -4.735 102 2HD1 ILE 14 2HD1 ILE 14 -11.832 1.606 -5.884 103 3HD1 ILE 14 3HD1 ILE 14 -11.549 -0.084 -5.498 104 H GLU 15 H GLU 15 -8.281 3.583 -2.763 105 HA GLU 15 HA GLU 15 -6.744 1.200 -2.732 106 2HB GLU 15 2HB GLU 15 -4.824 2.987 -2.555 107 2HG GLU 15 2HG GLU 15 -6.498 3.360 -4.984 108 H ALA 16 H ALA 16 -7.767 2.843 0.127 109 HA ALA 16 HA ALA 16 -5.656 1.535 1.744 110 1HB ALA 16 1HB ALA 16 -6.396 3.788 2.378 111 2HB ALA 16 2HB ALA 16 -8.051 3.197 2.583 112 3HB ALA 16 3HB ALA 16 -6.772 2.586 3.635 113 H LYS 17 H LYS 17 -9.236 1.219 1.210 114 HA LYS 17 HA LYS 17 -9.364 -1.142 2.958 115 2HB LYS 17 2HB LYS 17 -11.254 0.524 2.704 116 2HG LYS 17 2HG LYS 17 -11.746 -1.057 0.137 117 2HD LYS 17 2HD LYS 17 -13.516 0.856 -0.102 118 2HE LYS 17 2HE LYS 17 -14.220 -1.572 1.590 119 1HZ LYS 17 1HZ LYS 17 -16.028 -0.093 0.771 120 2HZ LYS 17 2HZ LYS 17 -15.503 -0.286 -0.764 121 3HZ LYS 17 3HZ LYS 17 -16.108 -1.554 0.049 122 H GLU 18 H GLU 18 -9.340 -0.631 -0.548 123 HA GLU 18 HA GLU 18 -9.485 -3.508 -1.200 124 2HB GLU 18 2HB GLU 18 -8.519 -2.355 -3.466 125 2HG GLU 18 2HG GLU 18 -10.489 -3.618 -3.571 126 H ALA 19 H ALA 19 -6.941 -1.358 -0.186 127 HA ALA 19 HA ALA 19 -4.849 -3.296 -0.952 128 1HB ALA 19 1HB ALA 19 -4.143 -1.046 -0.403 129 2HB ALA 19 2HB ALA 19 -4.911 -1.172 1.211 130 3HB ALA 19 3HB ALA 19 -3.513 -2.185 0.794 131 H CYS 20 H CYS 20 -7.048 -2.839 1.968 132 HA CYS 20 HA CYS 20 -5.953 -5.153 3.241 133 2HB CYS 20 2HB CYS 20 -8.835 -4.218 3.487 134 HG CYS 20 HG CYS 20 -8.642 -4.909 5.999 135 H ASP 21 H ASP 21 -8.744 -4.958 0.987 136 HA ASP 21 HA ASP 21 -9.144 -7.779 0.874 137 2HB ASP 21 2HB ASP 21 -9.614 -5.790 -1.371 138 H TRP 22 H TRP 22 -7.029 -5.707 -1.243 139 HA TRP 22 HA TRP 22 -6.171 -7.862 -2.925 140 2HB TRP 22 2HB TRP 22 -4.723 -5.257 -2.300 141 HD1 TRP 22 HD TRP 22 -5.540 -6.267 -5.790 142 HE1 TRP 22 1HE TRP 22 -3.454 -6.971 -7.088 143 HE3 TRP 22 3HE TRP 22 -2.164 -6.455 -1.948 144 HZ2 TRP 22 2HZ TRP 22 -0.760 -7.756 -6.525 145 HZ3 TRP 22 3HZ TRP 22 0.144 -7.294 -2.330 146 HH2 TRP 22 HH TRP 22 0.823 -7.999 -4.613 147 H LEU 23 H LEU 23 -4.441 -6.342 -0.073 148 HA LEU 23 HA LEU 23 -2.199 -8.133 -0.133 149 2HB LEU 23 2HB LEU 23 -2.267 -7.701 2.443 150 HG LEU 23 HG LEU 23 -1.216 -5.705 2.512 151 1HD1 LEU 23 1HD1 LEU 23 -0.095 -7.482 1.031 152 2HD1 LEU 23 2HD1 LEU 23 -0.526 -6.432 -0.323 153 3HD1 LEU 23 3HD1 LEU 23 0.521 -5.833 0.953 154 1HD2 LEU 23 1HD2 LEU 23 -2.432 -4.827 -0.082 155 2HD2 LEU 23 2HD2 LEU 23 -2.688 -4.168 1.554 156 3HD2 LEU 23 3HD2 LEU 23 -1.117 -3.994 0.779 157 H ARG 24 H ARG 24 -5.349 -8.494 1.582 158 HA ARG 24 HA ARG 24 -4.708 -11.028 2.750 159 2HB ARG 24 2HB ARG 24 -7.432 -9.851 2.021 160 2HG ARG 24 2HG ARG 24 -6.506 -11.997 3.960 161 2HD ARG 24 2HD ARG 24 -9.361 -11.115 4.032 162 HE ARG 24 HE ARG 24 -7.777 -12.727 5.622 163 1HH1 ARG 24 1HH2 ARG 24 -9.722 -9.900 6.357 164 2HH1 ARG 24 2HH2 ARG 24 -9.807 -10.293 8.043 165 1HH2 ARG 24 1HH1 ARG 24 -7.902 -13.130 7.811 166 2HH2 ARG 24 2HH1 ARG 24 -8.813 -12.071 8.831 167 H ALA 25 H ALA 25 -6.393 -10.308 -0.349 168 HA ALA 25 HA ALA 25 -6.833 -13.057 -1.075 169 1HB ALA 25 1HB ALA 25 -8.141 -11.189 -2.007 170 2HB ALA 25 2HB ALA 25 -6.686 -10.549 -2.808 171 3HB ALA 25 3HB ALA 25 -7.357 -12.124 -3.300 172 H THR 26 H THR 26 -4.142 -10.815 -1.731 173 HA THR 26 HA THR 26 -2.611 -12.491 -3.504 174 HB THR 26 HB THR 26 -1.876 -10.114 -1.765 175 HG1 THR 26 1HG THR 26 -1.939 -9.065 -3.676 176 1HG2 THR 26 1HG2 THR 26 0.179 -11.527 -2.264 177 2HG2 THR 26 2HG2 THR 26 -0.142 -11.265 -3.980 178 3HG2 THR 26 3HG2 THR 26 0.211 -9.901 -2.906 179 H GLY 27 H GLY 27 -2.426 -12.005 0.075 180 1HA GLY 27 2HA GLY 27 -2.183 -14.448 1.026 181 2HA GLY 27 3HA GLY 27 -0.585 -14.369 0.285 182 H PHE 28 H PHE 28 -1.830 -11.458 1.805 183 HA PHE 28 HA PHE 28 0.062 -11.760 4.080 184 2HB PHE 28 2HB PHE 28 1.094 -9.674 3.507 185 HD1 PHE 28 2HD PHE 28 2.803 -11.532 3.464 186 HD2 PHE 28 1HD PHE 28 0.558 -10.324 -0.013 187 HE1 PHE 28 2HE PHE 28 4.489 -12.624 2.000 188 HE2 PHE 28 1HE PHE 28 2.266 -11.400 -1.484 189 HZ PHE 28 HZ PHE 28 4.200 -12.568 -0.469 190 HA PRO 29 HA PRO 29 -3.921 -9.456 5.210 191 2HB PRO 29 2HB PRO 29 -5.140 -11.271 5.782 192 2HG PRO 29 2HG PRO 29 -4.129 -13.332 6.283 193 2HD PRO 29 2HD PRO 29 -2.902 -12.790 4.380 194 H GLN 30 H GLN 30 -0.959 -10.225 6.849 195 HA GLN 30 HA GLN 30 -1.120 -8.447 9.102 196 2HB GLN 30 2HB GLN 30 1.193 -9.668 7.552 197 2HG GLN 30 2HG GLN 30 2.121 -7.784 8.805 198 1HE2 GLN 30 2HE2 GLN 30 0.578 -6.435 10.072 199 2HE2 GLN 30 1HE2 GLN 30 0.409 -6.750 11.790 200 H TYR 31 H TYR 31 0.046 -7.897 5.709 201 HA TYR 31 HA TYR 31 1.308 -5.384 6.295 202 2HB TYR 31 2HB TYR 31 0.868 -5.051 3.755 203 HD1 TYR 31 1HD TYR 31 3.358 -5.408 5.601 204 HD2 TYR 31 2HD TYR 31 1.654 -7.758 2.417 205 HE1 TYR 31 1HE TYR 31 5.595 -6.377 5.100 206 HE2 TYR 31 2HE TYR 31 3.827 -8.875 2.063 207 HH TYR 31 HH TYR 31 6.022 -8.844 2.527 208 H ALA 32 H ALA 32 -1.987 -6.108 5.167 209 HA ALA 32 HA ALA 32 -2.919 -3.405 5.054 210 1HB ALA 32 1HB ALA 32 -4.022 -5.376 4.079 211 2HB ALA 32 2HB ALA 32 -4.349 -6.021 5.699 212 3HB ALA 32 3HB ALA 32 -5.113 -4.496 5.193 213 H GLN 33 H GLN 33 -2.710 -5.770 7.739 214 HA GLN 33 HA GLN 33 -4.122 -4.186 9.642 215 2HB GLN 33 2HB GLN 33 -2.072 -6.300 10.344 216 2HG GLN 33 2HG GLN 33 -4.800 -5.456 11.390 217 1HE2 GLN 33 2HE2 GLN 33 -6.095 -7.246 11.805 218 2HE2 GLN 33 1HE2 GLN 33 -5.473 -8.764 12.429 219 H LEU 34 H LEU 34 -0.663 -4.394 8.827 220 HA LEU 34 HA LEU 34 0.372 -2.663 10.857 221 2HB LEU 34 2HB LEU 34 2.030 -2.179 8.830 222 HG LEU 34 HG LEU 34 1.800 -4.598 10.569 223 1HD1 LEU 34 1HD1 LEU 34 2.422 -5.601 8.407 224 2HD1 LEU 34 2HD1 LEU 34 3.781 -4.511 8.256 225 3HD1 LEU 34 3HD1 LEU 34 3.717 -5.698 9.553 226 1HD2 LEU 34 1HD2 LEU 34 4.278 -2.925 10.015 227 2HD2 LEU 34 2HD2 LEU 34 3.003 -2.415 11.185 228 3HD2 LEU 34 3HD2 LEU 34 3.924 -3.913 11.378 229 H TYR 35 H TYR 35 -1.109 -1.920 7.669 230 HA TYR 35 HA TYR 35 -0.790 0.965 8.030 231 2HB TYR 35 2HB TYR 35 -2.500 -0.657 6.136 232 HD1 TYR 35 2HD TYR 35 -4.513 0.754 6.304 233 HD2 TYR 35 1HD TYR 35 -0.654 2.470 5.396 234 HE1 TYR 35 2HE TYR 35 -5.624 2.810 5.474 235 HE2 TYR 35 1HE TYR 35 -1.782 4.466 4.432 236 HH TYR 35 HH TYR 35 -5.338 4.843 4.391 237 H GLU 36 H GLU 36 -3.592 -1.296 8.473 238 HA GLU 36 HA GLU 36 -5.396 0.713 9.407 239 2HB GLU 36 2HB GLU 36 -6.548 -1.251 10.549 240 2HG GLU 36 2HG GLU 36 -5.910 -1.639 7.595 241 H ASP 37 H ASP 37 -2.708 -0.776 11.080 242 HA ASP 37 HA ASP 37 -3.362 -0.181 13.763 243 2HB ASP 37 2HB ASP 37 -0.591 -0.028 12.521 244 H PHE 38 H PHE 38 -1.476 1.886 11.484 245 HA PHE 38 HA PHE 38 -2.635 4.328 12.324 246 2HB PHE 38 2HB PHE 38 0.089 4.764 13.228 247 HD1 PHE 38 1HD PHE 38 -1.695 6.859 12.860 248 HD2 PHE 38 2HD PHE 38 -1.849 3.920 16.020 249 HE1 PHE 38 1HE PHE 38 -3.115 8.377 14.200 250 HE2 PHE 38 2HE PHE 38 -3.273 5.453 17.362 251 HZ PHE 38 HZ PHE 38 -3.923 7.673 16.443 252 H LEU 39 H LEU 39 -1.794 3.003 9.816 253 HA LEU 39 HA LEU 39 -0.791 3.288 7.846 254 2HB LEU 39 2HB LEU 39 -0.703 5.375 6.835 255 HG LEU 39 HG LEU 39 -3.081 4.650 7.411 256 1HD1 LEU 39 1HD1 LEU 39 -3.450 5.221 9.718 257 2HD1 LEU 39 2HD1 LEU 39 -2.716 6.853 9.486 258 3HD1 LEU 39 3HD1 LEU 39 -4.312 6.410 8.808 259 1HD2 LEU 39 1HD2 LEU 39 -2.472 7.605 7.055 260 2HD2 LEU 39 2HD2 LEU 39 -2.476 6.409 5.749 261 3HD2 LEU 39 3HD2 LEU 39 -3.981 6.798 6.590 262 H PHE 40 H PHE 40 1.050 2.109 8.370 263 HA PHE 40 HA PHE 40 3.384 3.316 9.550 264 2HB PHE 40 2HB PHE 40 2.579 0.998 9.975 265 HD1 PHE 40 1HD PHE 40 1.360 0.828 7.066 266 HD2 PHE 40 2HD PHE 40 4.926 -0.859 8.816 267 HE1 PHE 40 1HE PHE 40 1.369 -0.943 5.342 268 HE2 PHE 40 2HE PHE 40 4.825 -2.713 7.202 269 HZ PHE 40 HZ PHE 40 3.030 -2.783 5.480 270 HA PRO 41 HA PRO 41 5.125 4.287 5.451 271 2HB PRO 41 2HB PRO 41 5.014 6.448 6.236 272 2HG PRO 41 2HG PRO 41 5.562 7.040 8.414 273 2HD PRO 41 2HD PRO 41 4.135 5.352 8.912 274 H ILE 42 H ILE 42 5.998 2.013 5.539 275 HA ILE 42 HA ILE 42 8.829 1.823 6.359 276 HB ILE 42 HB ILE 42 8.771 -0.425 6.057 277 2HG1 ILE 42 2HG1 ILE 42 8.269 -0.994 3.933 278 1HG2 ILE 42 1HG2 ILE 42 7.186 0.400 7.783 279 2HG2 ILE 42 2HG2 ILE 42 5.868 0.147 6.640 280 3HG2 ILE 42 3HG2 ILE 42 6.849 -1.236 7.236 281 1HD1 ILE 42 1HD1 ILE 42 6.780 -2.562 5.320 282 2HD1 ILE 42 2HD1 ILE 42 5.432 -1.508 4.824 283 3HD1 ILE 42 3HD1 ILE 42 6.394 -2.337 3.626 284 H ASP 43 H ASP 43 10.432 0.919 4.859 285 HA ASP 43 HA ASP 43 10.393 2.269 2.220 286 2HB ASP 43 2HB ASP 43 12.665 0.718 3.501 287 H ILE 44 H ILE 44 9.919 1.139 0.374 288 HA ILE 44 HA ILE 44 9.250 -1.670 0.315 289 HB ILE 44 HB ILE 44 10.119 0.184 -1.947 290 2HG1 ILE 44 2HG1 ILE 44 7.770 0.320 -2.477 291 1HG2 ILE 44 1HG2 ILE 44 10.580 -2.048 -2.721 292 2HG2 ILE 44 2HG2 ILE 44 9.074 -2.691 -2.058 293 3HG2 ILE 44 3HG2 ILE 44 9.049 -1.572 -3.435 294 1HD1 ILE 44 1HD1 ILE 44 6.966 -1.927 -1.588 295 2HD1 ILE 44 2HD1 ILE 44 7.071 -1.239 0.041 296 3HD1 ILE 44 3HD1 ILE 44 5.979 -0.533 -1.153 297 H SER 45 H SER 45 12.393 -0.004 -0.090 298 HA SER 45 HA SER 45 13.922 -2.231 -0.957 299 2HB SER 45 2HB SER 45 14.510 0.274 0.560 300 HG SER 45 HG SER 45 16.663 -0.139 0.566 301 H LEU 46 H LEU 46 12.705 -1.500 2.315 302 HA LEU 46 HA LEU 46 14.403 -3.453 3.651 303 2HB LEU 46 2HB LEU 46 11.799 -2.184 4.631 304 HG LEU 46 HG LEU 46 14.261 -3.274 6.085 305 1HD1 LEU 46 1HD1 LEU 46 13.655 -1.041 6.950 306 2HD1 LEU 46 2HD1 LEU 46 11.973 -1.578 7.180 307 3HD1 LEU 46 3HD1 LEU 46 13.292 -2.304 8.128 308 1HD2 LEU 46 1HD2 LEU 46 11.280 -3.895 6.386 309 2HD2 LEU 46 2HD2 LEU 46 12.550 -5.008 5.847 310 3HD2 LEU 46 3HD2 LEU 46 12.547 -4.442 7.502 311 H VAL 47 H VAL 47 10.874 -3.430 2.834 312 HA VAL 47 HA VAL 47 10.520 -6.195 3.558 313 HB VAL 47 HB VAL 47 8.391 -6.115 2.273 314 1HG1 VAL 47 1HG1 VAL 47 8.543 -5.452 4.659 315 2HG1 VAL 47 2HG1 VAL 47 8.802 -3.766 4.174 316 3HG1 VAL 47 3HG1 VAL 47 7.278 -4.592 3.790 317 1HG2 VAL 47 1HG2 VAL 47 9.040 -3.176 1.800 318 2HG2 VAL 47 2HG2 VAL 47 9.107 -4.419 0.532 319 3HG2 VAL 47 3HG2 VAL 47 7.609 -4.083 1.302 320 H LYS 48 H LYS 48 11.352 -4.687 0.440 321 HA LYS 48 HA LYS 48 11.222 -7.028 -1.198 322 2HB LYS 48 2HB LYS 48 13.083 -4.620 -1.376 323 2HG LYS 48 2HG LYS 48 12.099 -5.792 -3.884 324 2HD LYS 48 2HD LYS 48 14.607 -5.883 -4.378 325 2HE LYS 48 2HE LYS 48 13.661 -3.090 -3.652 326 1HZ LYS 48 1HZ LYS 48 15.805 -3.380 -4.814 327 2HZ LYS 48 2HZ LYS 48 15.090 -4.226 -5.999 328 3HZ LYS 48 3HZ LYS 48 14.741 -2.656 -5.807 329 H ARG 49 H ARG 49 13.833 -5.812 0.926 330 HA ARG 49 HA ARG 49 15.709 -7.892 0.269 331 2HB ARG 49 2HB ARG 49 16.079 -7.060 3.007 332 2HG ARG 49 2HG ARG 49 17.416 -5.958 0.516 333 2HD ARG 49 2HD ARG 49 17.910 -5.387 3.161 334 HE ARG 49 HE ARG 49 19.073 -7.207 4.018 335 1HH1 ARG 49 1HH2 ARG 49 20.179 -6.770 0.714 336 2HH1 ARG 49 2HH2 ARG 49 21.375 -8.027 0.850 337 1HH2 ARG 49 1HH1 ARG 49 20.636 -8.812 4.107 338 2HH2 ARG 49 2HH1 ARG 49 21.625 -9.134 2.713 339 H GLU 50 H GLU 50 13.221 -7.736 2.822 340 HA GLU 50 HA GLU 50 13.919 -10.352 3.879 341 2HB GLU 50 2HB GLU 50 11.695 -10.169 5.038 342 2HG GLU 50 2HG GLU 50 13.359 -7.663 5.430 343 H HIS 51 H HIS 51 11.533 -9.321 1.469 344 HA HIS 51 HA HIS 51 10.699 -12.124 0.977 345 1HB HIS 51 2HB HIS 51 9.407 -9.438 0.524 346 2HB HIS 51 3HB HIS 51 8.995 -10.750 -0.561 347 HD1 HIS 51 1HD HIS 51 8.084 -9.564 2.856 348 HD2 HIS 51 2HD HIS 51 8.200 -13.162 0.660 349 HE1 HIS 51 1HE HIS 51 6.551 -11.202 4.069 350 H ASP 52 H ASP 52 13.350 -11.191 0.186 351 HA ASP 52 HA ASP 52 13.558 -10.946 -2.621 352 2HB ASP 52 2HB ASP 52 15.407 -10.653 -0.867 353 H PHE 53 H PHE 53 12.587 -13.659 -0.755 354 HA PHE 53 HA PHE 53 13.080 -15.894 -2.442 355 2HB PHE 53 2HB PHE 53 10.748 -15.201 -0.606 356 HD1 PHE 53 1HD PHE 53 9.027 -16.299 -2.025 357 HD2 PHE 53 2HD PHE 53 12.532 -18.428 -0.702 358 HE1 PHE 53 1HE PHE 53 7.986 -18.436 -2.738 359 HE2 PHE 53 2HE PHE 53 11.471 -20.577 -1.373 360 HZ PHE 53 HZ PHE 53 9.202 -20.580 -2.398 361 H LEU 54 H LEU 54 10.526 -13.408 -2.572 362 HA LEU 54 HA LEU 54 9.024 -14.681 -4.737 363 2HB LEU 54 2HB LEU 54 7.646 -12.693 -4.625 364 HG LEU 54 HG LEU 54 8.349 -13.522 -1.789 365 1HD1 LEU 54 1HD1 LEU 54 7.301 -11.245 -1.978 366 2HD1 LEU 54 2HD1 LEU 54 5.930 -11.984 -2.815 367 3HD1 LEU 54 3HD1 LEU 54 6.302 -12.432 -1.134 368 1HD2 LEU 54 1HD2 LEU 54 5.976 -14.272 -3.563 369 2HD2 LEU 54 2HD2 LEU 54 7.348 -15.335 -3.234 370 3HD2 LEU 54 3HD2 LEU 54 6.289 -14.833 -1.911 371 H ASP 55 H ASP 55 8.700 -13.630 -6.840 372 HA ASP 55 HA ASP 55 11.161 -12.693 -8.073 373 2HB ASP 55 2HB ASP 55 9.729 -12.378 -10.087 374 H ARG 56 H ARG 56 11.429 -10.670 -9.205 375 HA ARG 56 HA ARG 56 10.677 -8.264 -7.893 376 2HB ARG 56 2HB ARG 56 12.579 -8.564 -9.456 377 2HG ARG 56 2HG ARG 56 11.067 -7.759 -11.848 378 2HD ARG 56 2HD ARG 56 13.570 -8.766 -11.475 379 HE ARG 56 HE ARG 56 13.434 -11.084 -11.390 380 1HH1 ARG 56 1HH2 ARG 56 10.954 -10.042 -13.655 381 2HH1 ARG 56 2HH2 ARG 56 10.566 -11.670 -14.118 382 1HH2 ARG 56 1HH1 ARG 56 12.850 -13.155 -12.039 383 2HH2 ARG 56 2HH1 ARG 56 11.617 -13.364 -13.238 384 H ASP 57 H ASP 57 8.850 -10.090 -10.305 385 HA ASP 57 HA ASP 57 6.868 -8.036 -10.826 386 2HB ASP 57 2HB ASP 57 5.482 -10.240 -11.356 387 H ALA 58 H ALA 58 7.026 -10.734 -8.481 388 HA ALA 58 HA ALA 58 4.426 -10.218 -7.309 389 1HB ALA 58 1HB ALA 58 5.515 -12.400 -7.088 390 2HB ALA 58 2HB ALA 58 6.917 -11.635 -6.322 391 3HB ALA 58 3HB ALA 58 5.355 -11.664 -5.479 392 H ILE 59 H ILE 59 7.802 -9.196 -6.517 393 HA ILE 59 HA ILE 59 6.963 -7.574 -4.308 394 HB ILE 59 HB ILE 59 9.453 -8.296 -5.335 395 2HG1 ILE 59 2HG1 ILE 59 10.321 -7.355 -3.282 396 1HG2 ILE 59 1HG2 ILE 59 9.539 -6.245 -6.754 397 2HG2 ILE 59 2HG2 ILE 59 9.398 -5.253 -5.293 398 3HG2 ILE 59 3HG2 ILE 59 10.790 -6.314 -5.542 399 1HD1 ILE 59 1HD1 ILE 59 9.051 -5.205 -3.023 400 2HD1 ILE 59 2HD1 ILE 59 7.576 -6.142 -2.714 401 3HD1 ILE 59 3HD1 ILE 59 8.937 -6.248 -1.608 402 H GLU 60 H GLU 60 7.293 -6.701 -7.806 403 HA GLU 60 HA GLU 60 6.617 -3.941 -7.459 404 2HB GLU 60 2HB GLU 60 5.720 -4.263 -9.878 405 2HG GLU 60 2HG GLU 60 8.212 -5.045 -10.597 406 H ALA 61 H ALA 61 4.516 -6.807 -7.960 407 HA ALA 61 HA ALA 61 2.022 -5.404 -7.988 408 1HB ALA 61 1HB ALA 61 2.441 -7.729 -8.799 409 2HB ALA 61 2HB ALA 61 2.650 -8.269 -7.120 410 3HB ALA 61 3HB ALA 61 1.080 -7.634 -7.672 411 H LEU 62 H LEU 62 3.789 -7.016 -5.288 412 HA LEU 62 HA LEU 62 1.935 -6.279 -3.223 413 2HB LEU 62 2HB LEU 62 4.921 -6.747 -2.966 414 HG LEU 62 HG LEU 62 2.931 -8.124 -1.184 415 1HD1 LEU 62 1HD1 LEU 62 5.288 -8.692 -1.081 416 2HD1 LEU 62 2HD1 LEU 62 5.735 -6.979 -0.869 417 3HD1 LEU 62 3HD1 LEU 62 4.877 -7.817 0.387 418 1HD2 LEU 62 1HD2 LEU 62 3.799 -5.303 -0.621 419 2HD2 LEU 62 2HD2 LEU 62 2.132 -5.864 -0.855 420 3HD2 LEU 62 3HD2 LEU 62 3.046 -6.397 0.538 421 H CYS 63 H CYS 63 5.028 -4.784 -4.260 422 HA CYS 63 HA CYS 63 4.999 -2.436 -2.745 423 2HB CYS 63 2HB CYS 63 5.991 -2.949 -5.561 424 HG CYS 63 HG CYS 63 7.738 -1.033 -5.402 425 H ARG 64 H ARG 64 3.061 -3.030 -5.767 426 HA ARG 64 HA ARG 64 2.201 -0.384 -6.022 427 2HB ARG 64 2HB ARG 64 0.465 -2.855 -6.434 428 2HG ARG 64 2HG ARG 64 0.288 0.023 -7.253 429 2HD ARG 64 2HD ARG 64 0.820 -0.957 -9.369 430 HE ARG 64 HE ARG 64 -1.084 -3.117 -8.629 431 1HH1 ARG 64 1HH2 ARG 64 0.984 -1.828 -11.149 432 2HH1 ARG 64 2HH2 ARG 64 0.981 -3.316 -12.041 433 1HH2 ARG 64 1HH1 ARG 64 -1.050 -4.993 -9.843 434 2HH2 ARG 64 2HH1 ARG 64 -0.149 -5.046 -11.319 435 H ARG 65 H ARG 65 0.767 -2.839 -3.834 436 HA ARG 65 HA ARG 65 -1.072 -0.819 -2.653 437 2HB ARG 65 2HB ARG 65 -1.660 -2.648 -1.075 438 2HG ARG 65 2HG ARG 65 -2.819 -4.103 -2.535 439 2HD ARG 65 2HD ARG 65 -2.687 -1.509 -4.108 440 HE ARG 65 HE ARG 65 -5.249 -2.671 -3.275 441 1HH1 ARG 65 1HH2 ARG 65 -2.864 -2.915 -5.825 442 2HH1 ARG 65 2HH2 ARG 65 -4.043 -3.433 -6.996 443 1HH2 ARG 65 1HH1 ARG 65 -6.684 -3.342 -4.809 444 2HH2 ARG 65 2HH1 ARG 65 -6.162 -3.617 -6.441 445 H LEU 66 H LEU 66 1.937 -2.489 -1.621 446 HA LEU 66 HA LEU 66 1.885 -1.208 0.939 447 2HB LEU 66 2HB LEU 66 4.593 -1.750 0.098 448 HG LEU 66 HG LEU 66 3.851 -1.887 2.430 449 1HD1 LEU 66 1HD1 LEU 66 1.581 -2.807 2.285 450 2HD1 LEU 66 2HD1 LEU 66 2.195 -4.269 1.491 451 3HD1 LEU 66 3HD1 LEU 66 2.618 -3.910 3.174 452 1HD2 LEU 66 1HD2 LEU 66 4.717 -4.566 1.234 453 2HD2 LEU 66 2HD2 LEU 66 5.741 -3.192 1.616 454 3HD2 LEU 66 3HD2 LEU 66 4.937 -4.067 2.912 455 H ASN 67 H ASN 67 3.611 -0.155 -2.075 456 HA ASN 67 HA ASN 67 4.620 2.317 -1.064 457 2HB ASN 67 2HB ASN 67 3.505 1.637 -3.812 458 1HD2 ASN 67 2HD2 ASN 67 3.771 3.073 -5.461 459 2HD2 ASN 67 1HD2 ASN 67 4.474 4.651 -5.244 460 H THR 68 H THR 68 1.343 1.620 -2.490 461 HA THR 68 HA THR 68 0.271 4.202 -2.109 462 HB THR 68 HB THR 68 -0.781 1.413 -2.329 463 HG1 THR 68 1HG THR 68 -1.878 2.513 -4.093 464 1HG2 THR 68 1HG2 THR 68 -2.355 2.409 -0.696 465 2HG2 THR 68 2HG2 THR 68 -2.720 3.683 -1.872 466 3HG2 THR 68 3HG2 THR 68 -3.026 1.952 -2.226 467 H LEU 69 H LEU 69 0.249 1.476 0.249 468 HA LEU 69 HA LEU 69 -1.010 2.932 2.391 469 2HB LEU 69 2HB LEU 69 0.247 0.946 3.678 470 HG LEU 69 HG LEU 69 -2.059 0.749 3.570 471 1HD1 LEU 69 1HD1 LEU 69 -2.599 1.800 1.441 472 2HD1 LEU 69 2HD1 LEU 69 -2.147 0.284 0.618 473 3HD1 LEU 69 3HD1 LEU 69 -3.477 0.351 1.785 474 1HD2 LEU 69 1HD2 LEU 69 -1.058 -1.582 1.945 475 2HD2 LEU 69 2HD2 LEU 69 -0.896 -1.409 3.708 476 3HD2 LEU 69 3HD2 LEU 69 -2.506 -1.544 2.982 477 H ASN 70 H ASN 70 2.421 2.289 1.737 478 HA ASN 70 HA ASN 70 3.579 3.667 3.951 479 2HB ASN 70 2HB ASN 70 5.662 3.570 2.604 480 1HD2 ASN 70 2HD2 ASN 70 6.050 1.214 0.941 481 2HD2 ASN 70 1HD2 ASN 70 5.734 -0.157 2.005 482 H LYS 71 H LYS 71 2.648 4.775 0.697 483 HA LYS 71 HA LYS 71 3.714 7.455 0.925 484 2HB LYS 71 2HB LYS 71 1.666 6.227 -0.963 485 2HG LYS 71 2HG LYS 71 2.874 8.993 -0.857 486 2HD LYS 71 2HD LYS 71 2.152 9.061 -3.363 487 2HE LYS 71 2HE LYS 71 4.712 7.673 -2.445 488 1HZ LYS 71 1HZ LYS 71 4.457 7.423 -4.827 489 2HZ LYS 71 2HZ LYS 71 4.108 8.996 -5.029 490 3HZ LYS 71 3HZ LYS 71 5.591 8.549 -4.552 491 H CYS 72 H CYS 72 0.304 6.187 1.228 492 HA CYS 72 HA CYS 72 -0.696 8.652 2.326 493 2HB CYS 72 2HB CYS 72 -2.491 7.118 3.257 494 HG CYS 72 HG CYS 72 -3.639 6.512 1.100 495 H ALA 73 H ALA 73 1.128 6.012 3.902 496 HA ALA 73 HA ALA 73 0.819 6.966 6.541 497 1HB ALA 73 1HB ALA 73 1.570 4.732 6.036 498 2HB ALA 73 2HB ALA 73 3.006 5.365 5.233 499 3HB ALA 73 3HB ALA 73 2.821 5.588 6.954 500 H VAL 74 H VAL 74 3.061 8.171 4.056 501 HA VAL 74 HA VAL 74 4.241 10.059 6.055 502 HB VAL 74 HB VAL 74 5.732 10.845 4.272 503 1HG1 VAL 74 1HG1 VAL 74 6.322 8.948 5.886 504 2HG1 VAL 74 2HG1 VAL 74 5.937 7.804 4.491 505 3HG1 VAL 74 3HG1 VAL 74 7.205 8.969 4.333 506 1HG2 VAL 74 1HG2 VAL 74 4.704 8.507 2.615 507 2HG2 VAL 74 2HG2 VAL 74 4.472 10.202 2.245 508 3HG2 VAL 74 3HG2 VAL 74 6.070 9.549 2.228 509 H MET 75 H MET 75 2.066 10.012 3.286 510 HA MET 75 HA MET 75 1.729 12.948 3.307 511 2HB MET 75 2HB MET 75 0.341 12.497 1.248 512 2HG MET 75 2HG MET 75 2.092 11.836 -0.251 513 1HE MET 75 1HE MET 75 4.739 13.015 -0.601 514 2HE MET 75 2HE MET 75 3.318 13.628 -1.475 515 3HE MET 75 3HE MET 75 4.443 14.759 -0.706 516 H LYS 76 H LYS 76 0.648 11.274 5.495 517 HA LYS 76 HA LYS 76 -0.978 11.267 6.979 518 2HB LYS 76 2HB LYS 76 -0.720 13.766 6.337 519 2HG LYS 76 2HG LYS 76 -3.686 13.841 6.217 520 2HD LYS 76 2HD LYS 76 -2.190 15.907 6.091 521 2HE LYS 76 2HE LYS 76 -1.695 14.712 3.323 522 1HZ LYS 76 1HZ LYS 76 -2.166 17.062 3.132 523 2HZ LYS 76 2HZ LYS 76 -1.046 17.444 4.268 524 3HZ LYS 76 3HZ LYS 76 -0.580 16.800 2.836
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